SCHEMBL3662643

SCHEMBL3662643

Cc1cccc(C(=C2CCNC2)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
OPRD1 P41143 7/20 0.44
OPRK1 P41145 2/20 0.44
KCNH2 Q12809 2/20 0.41
ABCB11 O95342 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNA4 P43681 2/20 0.39
SETD7 Q8WTS6 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.38
CHRNA1 P02708 1/20 0.38

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
SCHEMBL3662638 1.00 OPRM1 (0.44) OPRM1OPRD1OPRK1KCNH2ABCB11
SCHEMBL8316059 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1KCNH2ABCB11
SCHEMBL8313311 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1KCNH2ABCB11
SCHEMBL8316576 0.76 OPRD1 (0.60) OPRM1OPRD1OPRK1KCNH2ABCB11
SCHEMBL23848294 0.75 SETD7 (0.43) OPRM1OPRD1OPRK1KCNH2CHRNA4
SCHEMBL2457390 0.74 OPRD1 (0.61) OPRM1OPRD1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL8983767 0.74 SETD7 (0.42) OPRM1OPRD1OPRK1KCNH2CHRNA4
Bromide SCHEMBL10598951 0.73 OPRD1 (0.59) OPRM1OPRD1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL7647391 0.73 OPRD1 (0.59) OPRM1OPRD1OPRK1KCNH2ABCB11
SCHEMBL5388533 0.72 OPRD1 (0.79) OPRM1OPRD1OPRK1KCNH2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258306-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-09-04 US disclosed
US-20100298341-A1 Glycine Transporter-1 Inhibitors AMGEN INC. 2010-11-25 US disclosed
EP-2231601-A2 GLYCINE TRANSPORTER-1 INHIBITORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075857-A2 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2009-06-18 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-20100298341-A1 Glycine Transporter-1 Inhibitors SLC18A2, SLC7A11, SLC6A5 OPRM1 1216/4885OPRD1 2137/4885OPRK1 1378/4885

“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.