SCHEMBL172065

SCHEMBL172065

CN1CCc2cc(Br)ccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SRD5A1 P18405 2/20 0.50
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
AOC3 Q16853 2/20 0.46
BRD4 O60885 1/20 0.45
OPRD1 P41143 1/20 0.44
SRD5A2 P31213 1/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
PRF1 P14222 1/20 0.42
PARP1 P09874 1/20 0.42
METAP1 P53582 1/20 0.41
TDP2 O95551 1/20 0.40

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
SCHEMBL29809278 1.00 GRM5 (0.56) GRM5MEN1KMT2ASRD5A1PARP10
SCHEMBL17797550 0.90 SRD5A1 (0.48) GRM5MEN1KMT2ASRD5A1PARP10
SCHEMBL2016126 0.86 MEN1 (0.53) GRM5MEN1KMT2APARP10PARP1
SCHEMBL29407570 0.86 MEN1 (0.53) GRM5MEN1KMT2APARP10PARP1
SCHEMBL290250 0.82 BRD4 (0.56) MEN1KMT2ASRD5A1PARP10PARP11
SCHEMBL424393 0.81 GRM5 (0.57) GRM5MEN1KMT2ASRD5A1PARP10
SCHEMBL18053937 0.81 GRM5 (0.57) GRM5MEN1KMT2AAOC3OPRD1
SCHEMBL1817669 0.80 GRM5 (0.61) GRM5SRD5A1PRMT5WDR77
SCHEMBL19699194 0.79 GRM5 (0.56) GRM5MEN1KMT2ASRD5A1AOC3
SCHEMBL17244227 0.79 PARP10 (0.47) GRM5SRD5A1PARP10PARP11SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092053-A1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2026-04-02 US disclosed
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
US-12410160-B2 KHK inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-12365673-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2025-07-22 US disclosed
US-20250136552-A1 ANTAGONISTS OF CAV 2.3 LARIO THERAPEUTICS LIMITED (GB) 2025-05-01 US disclosed
EP-4497473-A2 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2025-01-29 EP disclosed
WO-2024240242-A1 COMPOUND CONTAINING AMIDE-SUBSTITUTED AROMATIC RING, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 正大天晴药业集团股份有限公司 2024-11-28 WO disclosed
US-20240368173-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-11-07 US disclosed
EP-4419203-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2024-08-28 EP disclosed
WO-2014140075-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 WO disclosed
WO-2014140075-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 WO disclosed
US-20140275025-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275025-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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 (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-20240368173-A1 TRICYCLIC GPR65 MODULATORS GPR65, GPR3, NR1H2 GRM5 88/4885MEN1 4599/4885KMT2A 3316/4885
US-20140275025-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSB, CTSG GRM5 3023/4885MEN1 4213/4885KMT2A 1626/4885
US-12365673-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 GRM5 3983/4885MEN1 3665/4885KMT2A 4601/4885
US-20260092053-A1 KHK INHIBITORS KHK, SLC5A2, HK1 GRM5 1750/4885MEN1 4138/4885KMT2A 1037/4885
US-12410160-B2 KHK inhibitors KHK, KHDRBS1, NADK GRM5 3606/4885MEN1 2989/4885KMT2A 283/4885
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 GRM5 3533/4885MEN1 996/4885KMT2A 4859/4885
US-20250136552-A1 ANTAGONISTS OF CAV 2.3 CACNA1E, CACNA1A, CACNA1S GRM5 483/4885MEN1 3192/4885KMT2A 2093/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 GRM5 4414/4885MEN1 2694/4885KMT2A 2921/4885

“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.