SCHEMBL4705342

SCHEMBL4705342

OC(c1ccccc1Cl)c1ccncc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNA5 P22460 1/20 0.37
CYP19A1 P11511 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
GAA P10253 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
ROCK2 O75116 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL29976363 0.76 ADRB2 (0.48) IDO1TDO2CYP3A4CYP2D6SLC6A2
SCHEMBL230382 0.76 ADRB2 (0.48) IDO1TDO2CYP3A4CYP2D6SLC6A2
SCHEMBL4707443 0.75 IGFBP3 (0.39) HPGDHSD17B10KCNA5CYP19A1OPRM1
SCHEMBL8327525 0.75 GAA (0.34) HPGDHSD17B10GAACYP3A4CYP2D6
SCHEMBL11632311 0.73 GAA (0.66) HPGDHSD17B10KCNA5CYP19A1GAA
SCHEMBL4707217 0.73 CYP2C19 (0.45) HPGDHSD17B10KCNA5CYP19A1OPRM1
SCHEMBL21550102 0.73 NPC1 (0.39) GAACYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL8745972 0.72 HPGD (0.53) HPGDHSD17B10KCNA5CYP19A1IDO1
SCHEMBL8690340 0.71 SMN1; SMN2 (0.55) KCNA5GAACYP3A4CYP2D6SLC6A2
SCHEMBL21549993 0.71 OPRM1 (0.38) OPRM1OPRL1GAACYP2D6IGFBP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
CN-1312136-C Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2007-04-25 CN disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
CN-1646502-A Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2005-07-27 CN disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 HPGD 1378/4885HSD17B10 3075/4885KCNA5 81/4885

“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.