SCHEMBL423180

SCHEMBL423180

CCCc1cnc(C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
PDK2 Q15119 3/20 0.40
PDK4 Q16654 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
NOS2 P35228 1/20 0.33
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19441154 0.86 GRM2 (0.33) KDM4EPDK2LMNAL3MBTL1
SCHEMBL10154398 0.85 NFKB1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL12186163 0.81 RARB (0.50) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL12186156 0.81 RARB (0.50) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL12844629 0.79 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL422266 0.78
SCHEMBL12844410 0.77 KDM4E (0.40) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL10236980 0.77 NPC1 (0.41) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL17222197 0.77 NPC1 (0.40) NPC1RAB9AKDM4ESMN1; SMN2TP53
SCHEMBL16471442 0.77 KDM4E (0.39) KDM4EPDK2PDK4MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
EP-2987791-B1 3-(4-(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE, SUITABLE FOR PREVENTING AND TREATING METABOLIC DISEASES HYUNDAI PHARM CO LTD (KR) 2019-07-17 EP disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 US disclosed
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2017-11-30 US disclosed
EP-2847196-B1 NEW 2,3-DIHYDRO-FURO[2,3-C]PYRIDINES, THEIR USE AS MODULATORS OF THE G-PROTEIN-COUPLED RECEPTOR GPR119 AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BOEHRINGER INGELHEIM INT (DE) 2017-10-25 EP disclosed
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES HYUNDAI PHARM CO., LTD. (KR) 2017-10-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
US-20090042919-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090042919-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
WO-2009012277-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2007-06-21 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 US disclosed
US-7214798-B2 Derivatives of piperidinyl-and piperazinyl-alkyl carbamates, preparation methods thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885KDM4E 1194/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885KDM4E 1194/4885
US-20090042919-A1 METHOD FOR MODULATING GPR119 G PROTEIN-COUPLED RECEPTOR AND SELECTED COMPOUNDS GPR119, GPR65, GPR84 NPC1 795/4885RAB9A 1003/4885KDM4E 3957/4885
US-20170342089-A1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 GPR119, GPR39, GPBAR1 NPC1 335/4885RAB9A 610/4885KDM4E 3784/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK NPC1 255/4885RAB9A 1980/4885KDM4E 3026/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 NPC1 701/4885RAB9A 503/4885KDM4E 1194/4885
US-20170296539-A1 COMPOSITE PREPARATION, CONTAINING NOVEL 3-(4--(BENZYLOXY)PHENYL)HEX-4-INOIC ACID DERIVATIVE AND ANOTHER ACTIVE INGREDIENT, FOR PREVENTING OR TREATING METABOLIC DISEASES SLC5A2, SLC5A1, DPP4 NPC1 107/4885RAB9A 3963/4885KDM4E 602/4885
US-20070142350-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, H1-2 NPC1 339/4885RAB9A 3503/4885KDM4E 4112/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B NPC1 1992/4885RAB9A 3133/4885KDM4E 2335/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.