SCHEMBL16128201

SCHEMBL16128201

Fc1ccc2c(c1)nc([C@@H]1CCNC1)n2C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HTT P42858 2/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 1/20 0.49
CHRM1 P11229 1/20 0.48
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
OPRM1 P35372 4/20 0.43
OPRK1 P41145 3/20 0.43
OPRL1 P41146 3/20 0.43
OPRD1 P41143 2/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL17512052 1.00 ALDH1A1 (0.55) ALDH1A1HTTUSP2TSHRCHRM1
SCHEMBL16128078 0.92 HRH1 (0.51) ALDH1A1HTTUSP2TSHRCHRM1
SCHEMBL17512051 0.92 HRH1 (0.51) ALDH1A1HTTUSP2TSHRCHRM1
SCHEMBL16100832 0.88 HDAC1 (0.45) ALDH1A1CHRM1HRH1DRD2DRD4
SCHEMBL16100833 0.88 HDAC1 (0.45) ALDH1A1CHRM1HRH1DRD2DRD4
SCHEMBL16102847 0.88 DRD2 (0.46) HTTUSP2TSHRDRD2DRD4
SCHEMBL16102848 0.88 DRD2 (0.46) HTTUSP2TSHRDRD2DRD4
SCHEMBL16127791 0.88 OPRM1 (0.55) TSHRCHRM1HRH1HTR3ADRD2
SCHEMBL17512053 0.88 OPRM1 (0.55) TSHRCHRM1HRH1HTR3ADRD2
SCHEMBL17512086 0.86 TRPV4 (0.43) ALDH1A1CHRM1HRH1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
US-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-02-25 US disclosed
WO-2014153529-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-25 WO 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-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS OPRL1, OPRK1, OPRM1 ALDH1A1 3423/4885HTT 157/4885USP2 2772/4885

“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.