SCHEMBL15034693

SCHEMBL15034693

Clc1cccc2ncc(I)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2A6 P11509 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NOS1 P29475 1/20 0.36
KDM4E B2RXH2 2/20 0.35
GPR3 P46089 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4879213 0.80 PDE3B (0.44) CYP1A2CYP2A6PDE3BPDE3ANOS1
SCHEMBL18848439 0.80 NOS1 (0.38) CYP1A2NOS1KDM4EGPR3ALOX15
SCHEMBL25839860 0.77 NR4A2 (0.41) CYP1A2CYP2A6PDE3BPDE3ANOS1
SCHEMBL11167720 0.77 CYP1A2 (0.39) CYP1A2CYP2A6PDE3BPDE3ANOS1
SCHEMBL18318196 0.77 SMN1; SMN2 (0.44) CYP1A2CYP2A6PDE3BPDE3ANOS1
SCHEMBL14405531 0.77 CYP1A2 (0.50) CYP1A2CYP2A6PDE3BPDE3ANOS1
SCHEMBL29990013 0.77 NR4A2 (0.41) CYP1A2CYP2A6PDE3BPDE3ANOS1
SCHEMBL28523265 0.77 BACE1 (0.39) CYP1A2NOS1KDM4EGPR3EGFR
SCHEMBL21064338 0.77 CYP1A2 (0.39) CYP1A2CYP2A6PDE3BPDE3AKDM4E
SCHEMBL23490733 0.73 MASP2 (0.38) CYP1A2CYP2A6PDE3BPDE3ANOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-9096527-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2015-08-04 US disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-8710043-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-04-29 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US disclosed
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 US 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 (5 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP1A2 3757/4885CYP2A6 3052/4885PDE3B 1659/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP1A2 3757/4885CYP2A6 3052/4885PDE3B 1659/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP1A2 3757/4885CYP2A6 3052/4885PDE3B 1659/4885
US-20140171406-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP1A2 3757/4885CYP2A6 3052/4885PDE3B 1659/4885
US-20130157996-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 CYP1A2 3757/4885CYP2A6 3052/4885PDE3B 1659/4885

“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.