SCHEMBL3910210

SCHEMBL3910210

Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.81
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TSHR P16473 1/20 0.61

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
SCHEMBL3910198 0.94 OPRK1 (0.86) OPRK1NPC1RAB9ALMNAMAPT
SCHEMBL3906004 0.89 OPRK1 (0.79) OPRK1NPC1RAB9A
SCHEMBL14793427 0.87 OPRK1 (1.00) OPRK1LMNAMAPTNPSR1
SCHEMBL3913035 0.86 OPRK1 (0.80) OPRK1NPC1RAB9A
SCHEMBL14793430 0.86 OPRK1 (0.84) OPRK1LMNAMAPTNPSR1TSHR
SCHEMBL16302919 0.86 OPRK1 (0.84) OPRK1
SCHEMBL3910599 0.84 ALDH1A1 (0.60) OPRK1NPC1RAB9ALMNATSHR
SCHEMBL18057330 0.80 OPRK1 (0.81) OPRK1NPC1RAB9A
SCHEMBL16302935 0.80 OPRK1 (1.00) OPRK1NPC1RAB9ALMNAMAPT
SCHEMBL10432177 0.80 ALDH1A1 (0.74) OPRK1NPC1RAB9ATSHR

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-7563905-B2 Triazole derivatives and method of using the same to treat HIV infections WYETH (US) 2009-07-21 US claimed
WO-2005090320-A2 TRIAZOLE DERIVATIVES AND METHOD OF USING THE SAME TO TREAT HIV INFECTIONS WYETH (US) 2005-09-29 WO claimed
US-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections WYETH 2005-09-22 US claimed
US-7563905-B2 Triazole derivatives and method of using the same to treat HIV infections WYETH (US) 2009-07-21 US disclosed
WO-2005090320-A2 TRIAZOLE DERIVATIVES AND METHOD OF USING THE SAME TO TREAT HIV INFECTIONS WYETH (US) 2005-09-29 WO disclosed
US-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections WYETH 2005-09-22 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 (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-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections CYP3A43, XDH, AKR1C3 OPRK1 660/4885NPC1 509/4885RAB9A 4291/4885

“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.