SCHEMBL7583523

SCHEMBL7583523

Nc1cccc(C2CCN(Cc3ccccc3)CC2)c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ACHE P22303 4/20 0.51
DRD2 P14416 5/20 0.51
CCR3 P51677 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
DRD4 P21917 3/20 0.48
DRD3 P35462 3/20 0.48
OPRM1 P35372 1/20 0.47

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
SCHEMBL6045689 0.89 MEN1 (0.62) MEN1KMT2AACHEDRD2CCR3
SCHEMBL4896785 0.82 MEN1 (0.54) MEN1KMT2AACHEDRD2CCR3
SCHEMBL4896796 0.82 MEN1 (0.54) MEN1KMT2AACHEDRD2CCR3
SCHEMBL28425145 0.78 DRD2 (0.65) MEN1KMT2AACHEDRD2CCR3
SCHEMBL8279878 0.78 DRD2 (0.61) DRD2SIGMAR1DRD3
SCHEMBL7244471 0.77 CHRNB2 (0.48) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL13450177 0.77 MEN1 (0.67) MEN1KMT2AACHEDRD2CCR3
SCHEMBL16794595 0.77 MEN1 (0.49) MEN1KMT2AACHEDRD2CCR3
SCHEMBL20696253 0.77 KDM4E (0.60) MEN1KMT2AACHECCR3SIGMAR1
SCHEMBL17512056 0.75 OPRL1 (0.51) ACHESIGMAR1OPRM1OPRK1OPRL1

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 3 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-20160052913-A1 SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-02-25 US disclosed
WO-2002100861-A1 1-(3-PHENYLOXYPROPYL)PIPERIDINE DERIVATIVES AKZO NOBEL N.V. (NL) 2002-12-19 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 MEN1 4785/4885KMT2A 1884/4885ACHE 199/4885

“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.