SCHEMBL5103603

SCHEMBL5103603

CC(C)CCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.58
AOC3 Q16853 1/20 0.58
TAAR1 Q96RJ0 3/20 0.57
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
IDO1 P14902 3/20 0.51
TDO2 P48775 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
BACE1 P56817 1/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL9967760 0.89 PNMT (0.55) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL25786628 0.85 PNMT (0.51) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL9579004 0.85 OPRM1 (0.50) PNMTAOC3TAAR1KMT2AOPRM1
SCHEMBL28647619 0.85 PNMT (0.55) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL5149468 0.85 TSHR (0.58) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL265738 0.85 PNMT (0.70) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL8293508 0.83 PNMT (0.53) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL13995331 0.83 TAAR1 (0.60) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL28658363 0.82 PNMT (0.51) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL12050856 0.80 TAAR1 (0.74) PNMTAOC3TAAR1IDO1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1535151-A Novel anti-infectives ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-06 CN claimed
CN-117720415-A Application of Salen-Ti complex catalyst in preparation of quaternary carbon-containing compound by using halohydrocarbon 山东大学 2024-03-19 CN disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
US-20210186970-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS NORTHWESTERN UNIVERSITY 2021-06-24 US disclosed
EP-3534709-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER AG (DE) 2021-06-16 EP disclosed
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-11-12 US disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 US disclosed
WO-2020027304-A1 NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF アスタファーマシューティカルズ株式会社 2020-02-06 WO disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
US-7348326-B2 Heteroaryl fused aminoalkyl imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2008-03-25 US disclosed
US-7196095-B2 (Pyrimidinyl) (phenyl) substituted fused heteroaryl p38 inhibiting and PKG kinase inhibiting compounds MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors NEUROGEN CORPORATION (US) 2006-07-20 US disclosed
US-6972293-B2 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2005-12-06 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 WO disclosed
CN-1535151-A Novel anti-infectives ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-06 CN disclosed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US disclosed
US-6380210-B1 USEFUL IN DIAGNOSIS AND TREATMENT OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, DEPRESSION, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND ENHANCEMENT OF MEMORY AND ALERTNESS NEUROGEN CORPORATION 2002-04-30 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 (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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H PNMT 783/4885AOC3 3775/4885TAAR1 1302/4885
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 PNMT 3085/4885AOC3 1553/4885TAAR1 1473/4885
US-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors GABRB1, GABRA1, GABRB3 PNMT 2548/4885AOC3 1519/4885TAAR1 89/4885
US-20200352915-A1 CAR ACTIVATOR AGENTS FOR CYCLOPHOSPHAMIDE-BASED TREATMENTS OF CANCER CYP2A6, CYP2B6, CYP4A11 PNMT 3085/4885AOC3 1553/4885TAAR1 1473/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G PNMT 4799/4885AOC3 4061/4885TAAR1 4274/4885
US-20210186970-A1 SELECTIVE CALCIUM CHANNEL ANTAGONISTS CACNA1C, CACNA1B, CACNA1G PNMT 2226/4885AOC3 975/4885TAAR1 1963/4885

“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.