SCHEMBL9853734

SCHEMBL9853734

Cc1ccc(N2CCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
CD274 Q9NZQ7 1/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
NR4A1 P22736 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHKA P35790 1/20 0.43
ELANE P08246 1/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL29576618 0.98 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2CHRNB2
SCHEMBL9881494 0.98 MAPT (0.53) MAPTNPC1RAB9ASMN1; SMN2CHRNB2
SCHEMBL8290040 0.86 CHKA (0.51) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL231910 0.84 CHRNB2 (0.68) CHRNB2CHRNA4
SCHEMBL82236 0.84 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23107765 0.83 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2CHRNB2
SCHEMBL20248039 0.83 L3MBTL3 (0.64) ALDH1A1KDM4EL3MBTL1
SCHEMBL23107766 0.83 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2CHRNB2
SCHEMBL17297906 0.82 USP2 (0.49) MAPTNPC1RAB9ASMN1; SMN2CHRNB2
SCHEMBL255401 0.82 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421762-A1 Novel nicotine analogs and method Philip Morris Products Inc. (US) 1991-04-10 EP claimed
CN-117388406-A Determination method for chiral resolution of 1-methyl-2 alpha- (6-methyl-3-pyridyl) pyrrolidine 东莞市鸿馥生物科技有限公司 2024-01-12 CN disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 EP disclosed
EP-3532473-B1 HETEROBICYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2021-09-29 EP disclosed
WO-2021078132-A1 INHIBITORS OF MTOR-MEDIATED INDUCTION OF AUTOPHAGY SIRONAX LTD (GB) 2021-04-29 WO disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 US disclosed
US-20170174681-A1 Pyrazolopyridine Derivatives, Preparation Process Therefor And Therapeutic Use Thereof SANOFI (FR) 2017-06-22 US disclosed
US-20170174681-A1 Pyrazolopyridine Derivatives, Preparation Process Therefor And Therapeutic Use Thereof SANOFI (FR) 2017-06-22 US disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
US-9403839-B2 Pyran-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-02 US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 US disclosed
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-01 US disclosed
WO-2013109521-A1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-25 WO disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors AMGEN INC (US) 2011-06-16 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 (6 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN MAPT 4172/4885NPC1 3990/4885RAB9A 1796/4885
US-20170174681-A1 Pyrazolopyridine Derivatives, Preparation Process Therefor And Therapeutic Use Thereof FGF1, FGF2, FGFR1 MAPT 4077/4885NPC1 2420/4885RAB9A 2635/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN MAPT 4172/4885NPC1 3990/4885RAB9A 1796/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 MAPT 2611/4885NPC1 675/4885RAB9A 1016/4885
US-20150005304-A1 Pyran-Spirocyclic Piperidine Amides as Modulators of Ion Channels TRPV1, KCNJ2, KCNJ1 MAPT 2202/4885NPC1 657/4885RAB9A 1132/4885
US-20110142796-A1 Fused Pyridine, Pyrimidine and Triazine Compounds as Cell Cycle Inhibitors CDK4, CDKL4, CDK2 MAPT 2440/4885NPC1 4258/4885RAB9A 3760/4885

“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.