SCHEMBL7095248

SCHEMBL7095248

NC1(c2cc3ccccc3s2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 1.00
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
SLC6A3 Q01959 1/20 0.59
PMP22 Q01453 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL31061011 1.00 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL14681265 0.91 SIGMAR1 (0.86) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL27717160 0.79 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL230653 0.76 SIGMAR1 (0.61) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL30687922 0.74 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL12648367 0.74 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL988286 0.74 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL27780996 0.74 SIGMAR1 (0.59) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL23878715 0.74 SIGMAR1 (0.60) SIGMAR1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL7382599 0.70 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists ITO FUMITAKA (JP) 2003-06-12 US disclosed
EP-1102762-B1 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-11-13 EP disclosed
US-6423725-B1 ANALGESICS PFIZER INC 2002-07-23 US disclosed
EP-1049689-B1 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER (US) 2002-06-26 EP disclosed
CN-1317968-A 2-bustituted-1-piperidyl benzimidazole compounds as or/1-receptor agonists PFIZER PHARMA (US) 2001-10-17 CN disclosed
CN-1288464-A 4- (2-keto-1-benzimidazolinyl) piperidine compounds as ORL-1 receptor agonists PFIZER PHARMA (US) 2001-03-21 CN disclosed
US-6172067-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-01-09 US disclosed
US-5248686-A Treatment of nervous depression CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1993-09-28 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 (1 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-20030109549-A1 2-Substituted-1-piperidyl benzimidazole compounds as ORL1-receptor agonists OPRL1, ORMDL3, OPRM1 SIGMAR1 7/4885MEN1 3799/4885KMT2A 1735/4885

“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.