SCHEMBL19386404

SCHEMBL19386404

CC(C)Cc1ccc2nnccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
AKT1 P31749 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ABL1 P00519 1/20 0.35
PDE10A Q9Y233 1/20 0.33
DHODH Q02127 1/20 0.33
XDH P47989 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL18417280 0.86 GABRA1 (0.40) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL12064495 0.80 CYP1A2 (0.44) AKT1MAPTKDM4EMEN1POLB
SCHEMBL21037208 0.78 ABL1 (0.39) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL21709596 0.77 CNR1 (0.39) PDE10A
SCHEMBL29873370 0.76 ALDH1A1 (0.53) PDE10AMAPTKDM4EMEN1POLB
SCHEMBL19386431 0.76 ESR1 (0.37) AKT1ESR1
SCHEMBL113636 0.76 ALDH1A1 (0.53) PDE10AMAPTKDM4EMEN1POLB
SCHEMBL13197082 0.74 PDE10A (0.53) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL21037211 0.73 PDE10A (0.41) AKT1PDE10AESR1
SCHEMBL21037206 0.73 ABL1 (0.33) GABRA1GABRB2ABL1PDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217990-A1 THIENOPYRROLE COMPOUNDS GILEAD SCIENCES, INC. 2024-07-04 US disclosed
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-03-29 US disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-06-17 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-9771359-B1 Substituted oxazole- and thiazole-based carboxamide and urea derivatives as vanilloid receptor ligands II MEDIFRON DBT INC. (KR) 2017-09-26 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 (8 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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 GABRA1 2551/4885GABRB2 876/4885AKT1 379/4885
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 GABRA1 2235/4885GABRB2 1886/4885AKT1 2299/4885
US-20240217990-A1 THIENOPYRROLE COMPOUNDS SSB, TPMT, LCP2 GABRA1 2876/4885GABRB2 2487/4885AKT1 1885/4885
US-20190127358-A1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 GABRA1 480/4885GABRB2 780/4885AKT1 1099/4885
US-11286252-B2 Alkene spirocyclic compounds as farnesoid X receptor modulators NR1H2, NR1H4, NR1H3 GABRA1 1043/4885GABRB2 2171/4885AKT1 814/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GABRA1 859/4885GABRB2 430/4885AKT1 2233/4885
US-10730863-B2 Bridged bicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 GABRA1 480/4885GABRB2 780/4885AKT1 1099/4885
US-20210179599-A1 ALKENE SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H2, NR1H4, NR1H3 GABRA1 1043/4885GABRB2 2171/4885AKT1 814/4885

“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.