SCHEMBL51855

SCHEMBL51855

N#Cc1cc(CBr)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.42
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
AR P10275 1/20 0.36
VNN1 O95497 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM4 Q14833 1/20 0.34
CNR2 P34972 1/20 0.34
DAO P14920 1/20 0.34
CHKA P35790 1/20 0.34
CACNA1H O95180 2/20 0.34
S1PR1 P21453 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL29413279 1.00 TRPV4 (0.42) TRPV4DPP4DPP8MAOBMAOA
SCHEMBL14782922 0.85 TRPV4 (0.40) TRPV4DPP4DPP8MAOBMAOA
SCHEMBL240133 0.84 TRPV4 (0.57) TRPV4MAOBMAOADAOCYP11B1
SCHEMBL24872544 0.83 TRPV4 (0.45) TRPV4DPP4DPP8MAOBMAOA
SCHEMBL13179910 0.82 TRPV4 (0.44) TRPV4DPP4DPP8MAOBMAOA
SCHEMBL5066101 0.81 MAOB (0.49) TRPV4MAOBMAOACYP1A2
SCHEMBL15018389 0.80 TRPV4 (0.42) TRPV4DPP4DPP8MAOBMAOA
SCHEMBL19437205 0.80 TRPV4 (0.42) TRPV4DPP4DPP8MAOBMAOA
SCHEMBL8224122 0.80 CYP2A6 (0.47) TRPV4DPP4DPP8MAOBMAOA
SCHEMBL2657523 0.80 CYP11B1 (0.46) TRPV4DPP4DPP8MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
US-12473314-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2025-11-18 US disclosed
EP-4537828-A2 PHOSPHOLIPID COMPOUNDS AND USES THEREOF Gilead Sciences, Inc. (US) 2025-04-16 EP disclosed
CN-115916771-B Multi-target antitumor compound and preparation method and application thereof 浙江华海药业股份有限公司 2025-04-01 CN disclosed
EP-4200301-B1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-02-26 EP disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
US-12084436-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-10 US disclosed
US-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS J. MICHAEL BISHOP INSTITUTE OF CANCER RESEARCH (CN) 2024-08-15 US disclosed
CN-118344360-A 1-Phenyl-tetrahydro-beta-carboline derivative and preparation method and application thereof 寒武智元(南京)生物医药科技有限公司 2024-07-16 CN disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
EP-0837855-A4 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS DU PONT MERCK PHARMA (US) 1998-09-02 EP disclosed
EP-0858999-A1 Substituted cyclic carbonyls and derivatives thereof useful as retroviral protease inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-08-19 EP disclosed
WO-1998020009-A1 (4R,5S,6S,7R)-HEXAHYDRO-1- [5-(3-AMINOINAZOLE)METHYL] -3-BUTYL-5,6-DIHYDROXY-4,7-BIS [PHAENYLMETHYL] -2H-1,3-DIAZEPIN-2-ONE, ITS PREPARATION AND ITS USE AS HIV PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY (US) 1998-05-14 WO disclosed
WO-1998020008-A1 1-(3-AMINOINDAZOL-5-YL)-3-PHENYLMETHYL-CYCLIC UREAS USEFUL AS HIV PROTEASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-05-14 WO disclosed
EP-0837855-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-29 EP disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO disclosed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP disclosed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 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-20240270695-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 TRPV4 3723/4885DPP4 1770/4885DPP8 2055/4885
US-12084436-B2 Heterocyclic compound HDAC1, HDAC5, HDAC6 TRPV4 1588/4885DPP4 1285/4885DPP8 2013/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TRPV4 2452/4885DPP4 423/4885DPP8 480/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 TRPV4 464/4885DPP4 426/4885DPP8 1160/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 TRPV4 4673/4885DPP4 3518/4885DPP8 1852/4885
US-12473314-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TRPV4 2452/4885DPP4 423/4885DPP8 480/4885

“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.