SCHEMBL431457

SCHEMBL431457

NC1COc2ccc(Cl)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ROCK2 O75116 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
MAOB P27338 1/20 0.37
AADAT Q8N5Z0 1/20 0.36

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
SCHEMBL21810889 1.00 HRH4 (0.39) HRH4HRH3ROCK2POLBMAPT
Hydrochloric Acid SCHEMBL21811005 0.98 HRH4 (0.38) HRH4HRH3ROCK2POLBMAPT
Hydrochloric Acid SCHEMBL21811006 0.98 HRH4 (0.38) HRH4HRH3ROCK2POLBMAPT
SCHEMBL15086529 0.86 ESR1 (0.38) CA2CA1
SCHEMBL21811008 0.79 ROCK2 (0.39) ROCK2CYP19A1CA2
SCHEMBL3983842 0.79 KDM1A (0.40) MAPTCYP19A1CA2
SCHEMBL30937652 0.79 ROCK2 (0.39) ROCK2CYP19A1CA2
SCHEMBL21810882 0.79 HTR7 (0.35)
SCHEMBL21810881 0.79 HTR7 (0.35)
SCHEMBL16225128 0.78 HRH4 (0.40) HRH4HRH3ROCK2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720067-A1 BICYCLIC HETEROARYLAMIDES HAVING GPR68 MODULATING ACTIVITY Recursion Pharmaceuticals, Inc. (US) 2026-04-08 EP disclosed
US-12421225-B2 Heteroaromatic amide derivative and medicament containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2025-09-23 US disclosed
WO-2024246559-A1 BICYCLIC HETEROARYLAMIDES HAVING GPR68 MODULATING ACTIVITY EXSCIENTIA AI LIMITED (GB) 2024-12-05 WO disclosed
EP-3851436-B1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2024-06-12 EP disclosed
US-20230086366-A1 Novel heteroaromatic amide derivative and medicament containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2023-03-23 US disclosed
US-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS CYTOKINETICS INC (US) 2022-10-20 US disclosed
EP-3851436-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2021-07-21 EP disclosed
CN-112689636-A Novel heteroatom aromatic amide derivative and drug containing the same 科研制药株式会社 2021-04-20 CN disclosed
WO-2020054657-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME 科研製薬株式会社 2020-03-19 WO disclosed
WO-2020054670-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME 科研製薬株式会社 2020-03-19 WO disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
EP-2059502-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-05-20 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 WO disclosed
WO-2008011392-A2 PROLINE UREA CCR1 ANTAGONISTS FOR THE TREATMENT OF AUTOIMMUNE DISEASES OR INFLAMMATION LIGAND PHARMACUETICALS INCORPORATED (US) 2008-01-24 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 (5 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HRH4 53/4885HRH3 99/4885ROCK2 2449/4885
US-20230086366-A1 Novel heteroaromatic amide derivative and medicament containing the same SCN7A, HCN4, SCN4A HRH4 63/4885HRH3 84/4885ROCK2 4213/4885
US-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS TNNT2, TNNI3, MYLK2 HRH4 4648/4885HRH3 4738/4885ROCK2 1427/4885
US-12421225-B2 Heteroaromatic amide derivative and medicament containing the same SCN7A, HCN4, SCN4A HRH4 51/4885HRH3 72/4885ROCK2 4212/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HRH4 53/4885HRH3 99/4885ROCK2 2449/4885

“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.