SCHEMBL3779080

SCHEMBL3779080

CC(C)(C)OC(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.56
ACHE P22303 1/20 0.56
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 2/20 0.54
THRB P10828 1/20 0.54
MAPT P10636 1/20 0.54
STS P08842 1/20 0.54
GPR119 Q8TDV5 2/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.51

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 SCHEMBL3966170 0.99 CHRM4 (0.55) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL3570582 0.95 ACHE (0.61) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL642727 0.93 JAK2 (0.54) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL642728 0.93 JAK2 (0.54) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL7362773 0.92 CHRM4 (0.59) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL9058559 0.90 KMT2A (0.58) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL32665859 0.89 TP53 (0.53) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL643291 0.89 ALDH1A1 (0.48) CHRM4ACHEKDM4EALDH1A1TP53
SCHEMBL13443092 0.88 ACHE (0.54) ACHEKDM4EALDH1A1TP53THRB
SCHEMBL2862442 0.87 ALDH1A1 (0.60) CHRM4KDM4EALDH1A1TP53THRB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-20020082262-A1 Substituted bicyclic compounds for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-06-27 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
US-5814636-A TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed
CN-1134695-A Novel compound having platelet aggregation inhibitor effect MEIJI SEIKA CO (JP) 1996-10-30 CN disclosed
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS CHRM4 20/4885ACHE 408/4885KDM4E 2890/4885
US-20020082262-A1 Substituted bicyclic compounds for treating multidrug resistance ABCB1, ABCC1, ABCB11 CHRM4 4200/4885ACHE 3041/4885KDM4E 4039/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CHRM4 27/4885ACHE 438/4885KDM4E 2891/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS CHRM4 27/4885ACHE 474/4885KDM4E 2928/4885
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B CHRM4 4327/4885ACHE 700/4885KDM4E 1219/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CHRM4 27/4885ACHE 438/4885KDM4E 2891/4885

“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.