SCHEMBL3663243

SCHEMBL3663243

FC(F)(F)c1ccc(C(=C2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.54
OPRM1 P35372 6/20 0.54
OPRK1 P41145 2/20 0.54
KCNH2 Q12809 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A1 P04798 1/20 0.42
MAOB P27338 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
SETD7 Q8WTS6 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH1 P35367 1/20 0.41
CHRNA4 P43681 1/20 0.41

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
SCHEMBL3547237 0.93 OPRD1 (0.52) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL10461671 0.86 OPRM1 (0.67) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL2457390 0.84 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL7647391 0.82 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2ABCB11
Bromide SCHEMBL10598951 0.82 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2ABCB11
Trifluoroacetic Acid SCHEMBL2310563 0.82 OPRD1 (0.57) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL23848519 0.82 CYP1A1 (0.41) OPRD1OPRM1OPRK1KCNH2CYP1A1
SCHEMBL3662531 0.82 CYP1A1 (0.41) OPRD1OPRM1OPRK1KCNH2CYP1A1
SCHEMBL3662534 0.82 CYP1A1 (0.41) OPRD1OPRM1OPRK1KCNH2CYP1A1
SCHEMBL8314711 0.81 OPRD1 (0.58) OPRD1OPRM1OPRK1KCNH2ABCB11

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 6 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
EP-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 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 (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 OPRD1 2137/4885OPRM1 1216/4885OPRK1 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.