SCHEMBL2633337

SCHEMBL2633337

Cc1nccc2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
MAOA P21397 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
MAPT P10636 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
NFKB1 P19838 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL23233865 0.76 GRM5 (0.41) GRM5MAPK1AXLNUDT1AHR
SCHEMBL9942590 0.76 AHR (0.43) GRM5MAPK1AXLNUDT1AHR
SCHEMBL18237616 0.75 GRM5 (0.38) GRM5AXLNUDT1AHRBRD4
SCHEMBL30678614 0.74 GRM5 (0.43) GRM5MAPK1NPSR1AXLNUDT1
SCHEMBL401223 0.74 NOS3 (0.42) GRM5AXLNUDT1AHRBRD4
SCHEMBL30122523 0.74 DYRK1A (0.48) GRM5CYP3A4MAPTAPEX1MAPK1
SCHEMBL1154874 0.74 GRM5 (0.43) GRM5MAPK1NPSR1AXLNUDT1
SCHEMBL652414 0.74 GRM5 (0.40) GRM5CYP2A6MAPK1AXLNUDT1
SCHEMBL762091 0.74 DYRK1A (0.48) GRM5CYP3A4MAPTAPEX1MAPK1
SCHEMBL30781502 0.74 TNF (0.44) GRM5MAPK1AXLNUDT1AHR

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
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2021115286-A1 SIX-MEMBERED AND FIVE-MEMBERED AROMATIC RING DERIVATIVE CONTAINING NITROGEN HETEROATOMS WHICH CAN BE USED AS SHP2 INHIBITOR 成都倍特药业股份有限公司 2021-06-17 WO disclosed
CN-107208279-B Etching solution, replenishment solution, and method for forming copper wiring MEC股份有限公司 2021-03-26 CN disclosed
US-10174428-B2 Etchant, replenishment solution and method for forming copper wiring MEC COMPANY LTD. (JP) 2019-01-08 US disclosed
US-20170260632-A1 ETCHANT, REPLENISHMENT SOLUTION AND METHOD FOR FORMING COPPER WIRING MEC COMPANY LTD. (JP) 2017-09-14 US disclosed
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME BLINKBIO, INC. 2017-07-20 US disclosed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-19 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 WO disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GRM5 153/4885CYP2A6 747/4885ALDH1A1 312/4885
US-20170202970-A1 SILICON BASED DRUG CONJUGATES AND METHODS OF USING SAME CD44, MSN, AS3MT GRM5 2711/4885CYP2A6 2675/4885ALDH1A1 2151/4885
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 GRM5 3825/4885CYP2A6 4322/4885ALDH1A1 1946/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP GRM5 153/4885CYP2A6 747/4885ALDH1A1 312/4885
US-20120095017-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP GRM5 1761/4885CYP2A6 575/4885ALDH1A1 1175/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 GRM5 542/4885CYP2A6 1511/4885ALDH1A1 1494/4885

“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.