SCHEMBL3565401

SCHEMBL3565401

CC(C)(C)OC(=O)N1CCC(CN)(c2cccc(F)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CYP11B2 P19099 1/20 0.39
PARP1 P09874 1/20 0.39
CCR5 P51681 1/20 0.39
RORC P51449 1/20 0.39
KDM1A O60341 1/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GRM5 P41594 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 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
SCHEMBL3557514 0.82 OPRL1 (0.42) OPRD1OPRK1
SCHEMBL3325436 0.82 GPR119 (0.50) TACR1OPRD1OPRK1GPR119CCR5
SCHEMBL3325729 0.81 TACR1 (0.48) TACR1OPRD1OPRK1GPR119CCR5
SCHEMBL31417126 0.80 JAK2 (0.48) TACR1OPRD1OPRK1GPR119CNR1
SCHEMBL3561664 0.80 GPR119 (0.41) GPR119CYP11B2JAK2JAK1GRM5
SCHEMBL2899666 0.79 POLB (0.47) TACR1OPRD1OPRK1GPR119CCR5
SCHEMBL2469527 0.79 TACR1 (0.52) TACR1OPRD1OPRK1GPR119CCR5
SCHEMBL3327426 0.78 TACR1 (0.50) TACR1OPRD1OPRK1CNR1CNR2
SCHEMBL557992 0.77 TACR1 (0.60) TACR1OPRD1OPRK1GPR119CCR5
SCHEMBL30632635 0.77 CYP11B2 (0.39) GPR119CYP11B2PARP1RORCJAK2

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
EP-1729772-B1 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK SHARP & DOHME (US) 2016-12-07 EP disclosed
US-7825135-B2 Heteroaryl piperidine glycine transporter inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-11-02 US disclosed
EP-1729772-A4 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO INC (US) 2009-05-27 EP disclosed
US-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors MERCK SHARP & DOHME LLC 2007-11-01 US disclosed
EP-1729772-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS Merck and Co., Inc. (US) 2006-12-13 EP disclosed
WO-2005094514-A2 HETEROARYL PIPERIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-10-13 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-20070254880-A1 Heteroaryl Piperidine Glycine Transporter Inhibitors SLC1A2, SLC1A1, SLC1A3 TACR1 356/4885OPRD1 462/4885OPRK1 485/4885

“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.