SCHEMBL411153

SCHEMBL411153

COc1cc(C#N)ccc1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
SLC6A4 P31645 1/20 0.43
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
PTGES2 Q9H7Z7 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KDM1A O60341 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1B Q00975 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL10536276 0.94 AR (0.47) ARSLC6A4HTR2AKCNH2PTGES2
SCHEMBL28057085 0.86 AR (0.45) ARSLC6A4HTR2AKCNH2PTGES2
SCHEMBL7363416 0.86 SLC6A4 (0.49) ARSLC6A4HTR2AKCNH2GAA
SCHEMBL1855982 0.84 AR (0.49) ARSLC6A4HTR2AKCNH2PTGES2
SCHEMBL5900831 0.83 KCNH2 (0.42) ARSLC6A4HTR2AKCNH2TRPV4
SCHEMBL5405545 0.83 TRPV4 (0.54) ARHTR2AKCNH2TRPV4GAA
SCHEMBL7667004 0.82 AR (0.47) ARSLC6A4HTR2AKCNH2PTGES2
SCHEMBL22481567 0.82 AR (0.47) ARSLC6A4HTR2AKCNH2PTGES2
SCHEMBL3551458 0.82 AR (0.47) ARSLC6A4HTR2AKCNH2PTGES2
SCHEMBL3288455 0.82 AR (0.47) ARSLC6A4HTR2AKCNH2PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115991661-B Preparation method of high-purity non-neridone key intermediate 浙江科聚生物医药有限公司 2024-10-01 CN claimed
CN-115991661-A Preparation method of high-purity non-neridone key intermediate 浙江科聚生物医药有限公司 2023-04-21 CN claimed
US-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2026-04-07 US disclosed
US-12527774-B2 Estrogen-related receptor alpha modulators LEAD PHARMA HOLDING B.V. (NL) 2026-01-20 US disclosed
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-11 US disclosed
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-04 US disclosed
EP-4650353-A1 4-ALKOXY BENZIMIDAZOLE-6-CARBOXYLIC ACID DERIVATIVE SERVING AS GLP-1 RECEPTOR AGONIST Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-11-19 EP disclosed
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
US-20250268872-A2 ESTROGEN-RELATED RECEPTOR ALPHA MODULATORS LEAD PHARMA HOLDING B.V. (NL) 2025-08-28 US disclosed
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS DRAIG THERAPEUTICS LTD. (GB) 2025-06-19 US disclosed
CN-119874674-A GLP-1R modulating compounds 吉利德科学公司 2025-04-25 CN disclosed
EP-0199543-B1 HETEROCYCLIC AMIDE DERIVATIVES ICI AMERICAS INC. (US) 1991-12-04 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-5030643-A Antiallergens, antiinflammatory agents ICI AMERICAS INC. (US) 1991-07-09 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4859692-A Heterocyclic amide derivatives and pharmaceutical use ICI AMERICAS INC. (US) 1989-08-22 US disclosed
EP-0199543-A2 Heterocyclic amide derivatives ICI AMERICAS INC. (US) 1986-10-29 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP 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-12527774-B2 Estrogen-related receptor alpha modulators ESR2, ESRRA, ESRRB AR 29/4885SLC6A4 3003/4885HTR2A 584/4885
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 AR 4321/4885SLC6A4 4343/4885HTR2A 3671/4885
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 AR 4234/4885SLC6A4 4433/4885HTR2A 3629/4885
US-20250197368-A1 2-OXO-DIHYDROQUINOLINE-3-CARBOXAMIDE DERIVATIVES AS GABA TYPE A RECEPTOR MODULATORS GABRA2, GABRA3, GABRB2 AR 966/4885SLC6A4 473/4885HTR2A 115/4885
US-12595251-B2 Amidines and amidine analogs for the treatment of bacterial infections and potentiation antibiotics CLIC1, CBR3, CBR1 AR 3082/4885SLC6A4 3754/4885HTR2A 4425/4885
US-20250268872-A2 ESTROGEN-RELATED RECEPTOR ALPHA MODULATORS ESRRA, ESRRB, ESR2 AR 35/4885SLC6A4 3932/4885HTR2A 2152/4885

“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.