SCHEMBL3847726

SCHEMBL3847726

Cc1ccc(C(C)C)c(N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
LMNA P02545 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR2B P41595 1/20 0.56
TDP1 Q9NUW8 2/20 0.54
ALOX15 P16050 2/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 1/20 0.48
CA1 P00915 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
POLB P06746 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
Hydrochloric Acid SCHEMBL11333303 0.98 TRPA1 (0.54) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5550929 0.83 TDP1 (0.56) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3844644 0.81 TDP1 (0.54) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5197034 0.80 ALDH1A1 (0.41) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL18579593 0.79 ALDH1A1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL15919027 0.79 ALOX15 (0.46) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL49477 0.78 CASP1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5486247 0.78 CASP1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL29368425 0.78 CASP1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8239632 0.77 ALDH1A1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4549621-A1 PROCESS FOR MAKING AMINES FROM ALCOHOLS USING HYDROGEN HAVING LOW DEUTERIUM CONTENT PRODUCED WITH NON-FOSSIL ENERGY BASF SE (DE) 2025-05-07 EP claimed
WO-2025106949-A1 WRN INHIBITORS RADD PHARMACEUTICALS, INC. (US) 2025-05-22 WO disclosed
EP-4549621-A1 PROCESS FOR MAKING AMINES FROM ALCOHOLS USING HYDROGEN HAVING LOW DEUTERIUM CONTENT PRODUCED WITH NON-FOSSIL ENERGY BASF SE (DE) 2025-05-07 EP disclosed
US-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. (US) 2024-01-18 US disclosed
US-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-30 US disclosed
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 EP disclosed
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 US disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
EP-3150592-B1 ALK KINASE INHIBITOR, AND PREPARATION METHOD AND USE THEREOF SHANGHAI EMERALD WELLCARES PHARMACEUTICAL CO LTD (CN) 2023-08-30 EP disclosed
US-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2023-07-27 US disclosed
US-6528510-B1 Dihydropyrones with tethered heterocycles; 3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-phenylsulfanyl)-4-hydroxy-6 -isopropyl-6-(2-pyridin-4-yl-ethyl)-5,6-dihydro-pyran - 2-one; WARNER-LAMBERT COMPANY 2003-03-04 US disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
CN-1071091-C Novel herbicidal compositions RHONE POULENC AGRICULTURE (GB) 2001-09-19 CN disclosed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed
CN-1131379-A Novel herbicidal compositions RHONE POULENC AGRICULTURE (GB) 1996-09-18 CN disclosed
EP-0066325-B1 PROCESS FOR THE PREPARATION OF ANILINE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-07-17 EP disclosed
EP-0066325-A1 Process for the preparation of aniline derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-12-08 EP disclosed
US-4294940-A A CATIONIC POLYMER OF A CONJUGATED DIENE MODIFIED BY AN UNSATURATED ACID OR ANHYDRIDE, ALCOHOL OR AMINE, EPOXY COMPOUND, AND BLOCKED POLYISOCYANATE; AUTO PAINTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-13 US 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 (4 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-20230382865-A1 HISTONE DEMETHYLASE 5 INHIBITORS AND USES THEREOF KDM5A, KDM5B, KDM5C TRPA1 4588/4885LMNA 2598/4885CHRM1 3088/4885
US-20240018146-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE PINK1, NME4, AK2 TRPA1 3917/4885LMNA 443/4885CHRM1 3052/4885
US-20230302142-A1 Cytotoxic Agents ANXA11, ANXA5, HAX1 TRPA1 4589/4885LMNA 1518/4885CHRM1 377/4885
US-20230232831-A1 MONOTERPENOID AND PHENYLPROPANOID CARBONATE ESTERS AND METHODS OF THEIR MAKING AND USE AS REPELLENTS CYP51A1, CYP17A1, CYP4A11 TRPA1 351/4885LMNA 2370/4885CHRM1 1181/4885

“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.