SCHEMBL2297073

SCHEMBL2297073

Cc1ccc(SC2CCNCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.45
DDB1 Q16531 1/20 0.45
KMT2A Q03164 3/20 0.43
CYP2D6 P10635 3/20 0.43
MEN1 O00255 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 3/20 0.41
ADRB1 P08588 1/20 0.38
HTR1A P08908 3/20 0.38
HTR3A P46098 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
HTR2C P28335 5/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PTGIR P43119 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TP53 P04637 1/20 0.34

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 SCHEMBL10800698 0.98 CYP2D6 (0.46) CRBNDDB1KMT2ACYP2D6MEN1
SCHEMBL10798755 0.89 CRBN (0.42) CRBNDDB1KMT2ACYP2D6MEN1
SCHEMBL11439138 0.85 CRBN (0.47) CRBNDDB1KMT2AMEN1MAOA
SCHEMBL8361627 0.81 MAOA (0.55) CRBNDDB1KMT2AMAOAMAOB
SCHEMBL15271173 0.81 MAOA (0.50) CRBNDDB1KMT2AMAOAMAOB
SCHEMBL5215573 0.80 MAOA (0.42) CRBNKMT2AMEN1MAOAMAOB
SCHEMBL14082415 0.80 MAOA (0.42) KMT2AMEN1MAOAMAOBCYP1A2
SCHEMBL18318987 0.80 MAOA (0.42) KMT2AMEN1MAOAMAOBCYP1A2
SCHEMBL2795867 0.80 CYP1A2 (0.49) CRBNDDB1KMT2ACYP2D6MEN1
SCHEMBL2547361 0.80 DDB1 (0.45) CRBNDDB1KMT2AMEN1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed
US-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-08-30 US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US disclosed
CN-110520127-A Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICALS CO 2019-11-29 CN disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
EP-0635505-B1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GMBH (DE) 1997-10-15 EP disclosed
US-5561145-A 4-aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1996-10-01 US disclosed
EP-0635505-A1 4-Aryloxy- and 4-arylthiopiperidine derivatives MERCK PATENT GmbH (DE) 1995-01-25 EP disclosed
US-4642348-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4593102-A N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 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 (2 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-11426397-B2 Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 GPR6, GPR3, GPR68 CRBN 3366/4885DDB1 4681/4885KMT2A 1895/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 CRBN 3366/4885DDB1 4681/4885KMT2A 1895/4885

“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.