SCHEMBL9948817

SCHEMBL9948817

N#Cc1cc(Br)cc(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.35
KHK P50053 1/20 0.35
CYP11B2 P19099 5/20 0.34
CYP11B1 P15538 3/20 0.33
SLC1A5 Q15758 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NMT1 P30419 1/20 0.32
GPR35 Q9HC97 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
AR P10275 1/20 0.31
VCAM1 P19320 1/20 0.31

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
SCHEMBL30670701 1.00 TRPV4 (0.35) TRPV4KHKCYP11B2CYP11B1SLC1A5
SCHEMBL16098127 0.84 TRPV4 (0.38) TRPV4KHKCYP11B2CYP11B1SLC1A5
SCHEMBL30107963 0.78 TRPV4 (0.38) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL16581287 0.78 GPR35 (0.41) TRPV4CYP11B2CYP11B1GPR35MAOA
SCHEMBL29560065 0.78 TRPV4 (0.39) TRPV4KHKCYP11B2CYP11B1GPR35
SCHEMBL7922013 0.78 TRPV4 (0.38) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL9693924 0.78 GPR35 (0.41) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL504867 0.78 TRPV4 (0.39) TRPV4KHKCYP11B2CYP11B1GPR35
SCHEMBL4521310 0.77 TRPV4 (0.36) TRPV4SLC1A5ALDH1A1NMT1GPR35
SCHEMBL16122643 0.77 GRM5 (0.42) TRPV4KHKCYP11B2ALDH1A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250250252-A1 PIPERIDINYLBENZONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-08-07 US disclosed
EP-4558492-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 Therapeutics, Inc. (US) 2025-05-28 EP disclosed
WO-2025056068-A1 BICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海济煜医药科技有限公司 2025-03-20 WO disclosed
CN-119654315-A 3- (6-Pyridin-3-yl) -2- [4- (4-methyl-4H-1, 2, 4-triazol-3-yl) piperidin-1-yl ] benzonitrile derivatives and similar compounds as QPCTL and QPCT inhibitors for the treatment of cancer 858治疗公司 2025-03-18 CN disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
EP-2655378-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS AstraZeneca AB (SE) 2013-10-30 EP disclosed
CN-103380133-A Compounds and their use as BACE inhibitors ASTRAZENECA AB 2013-10-30 CN disclosed
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors ASTRAZENECA INTELLECTUAL PROPERTY 2013-08-15 US disclosed
US-8415483-B2 Compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 WO disclosed
US-20120165347-A1 Compounds and their use as BACE Inhibitors ASTRAZENECA AB (SE) 2012-06-28 US disclosed
WO-2012087237-A1 COMPOUNDS AND THEIR USE AS BACE INHIBITORS ASTRAZENECA AB (SE) 2012-06-28 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-20250250252-A1 PIPERIDINYLBENZONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GLUL TRPV4 4683/4885KHK 2563/4885CYP11B2 3408/4885
US-20120165347-A1 Compounds and their use as BACE Inhibitors BACE1, BACE2, APP TRPV4 4147/4885KHK 3744/4885CYP11B2 536/4885
US-20130210837-A1 Compounds and Their Use as BACE Inhibitors BACE1, BACE2, APP TRPV4 4147/4885KHK 3744/4885CYP11B2 536/4885
US-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 TRPV4 2148/4885KHK 3169/4885CYP11B2 159/4885
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT TRPV4 4778/4885KHK 2361/4885CYP11B2 725/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 TRPV4 1249/4885KHK 1739/4885CYP11B2 12/4885

“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.