SCHEMBL2616341

SCHEMBL2616341

CCn1ncc2c1Nc1cc(F)ccc1N(C(C)(C)C)C2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
IDH1 O75874 2/20 0.32
TSPO P30536 1/20 0.30
GRIA2 P42262 1/20 0.30

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
SCHEMBL2616340 0.87 TSPO (0.31) TSPO
SCHEMBL16300954 0.85 TSHR (0.36) TSHRIDH1TSPOGRIA2
SCHEMBL2616338 0.83 TSPO (0.43) IDH1TSPO
SCHEMBL2616348 0.71 TSPO (0.39) TSPO
SCHEMBL16300952 0.71 TSPO (0.34) TSPO
SCHEMBL2616346 0.71 TSPO (0.38) TSPO
SCHEMBL16300953 0.71 SMN1; SMN2 (0.38) TSHRTSPO
SCHEMBL16300966 0.69 TSPO (0.41) TSPO
SCHEMBL242536 0.68 IDH1 (0.47) IDH1
SCHEMBL16300951 0.67 TSPO (0.48) TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B TSHR 460/4885IDH1 3133/4885TSPO 1733/4885

“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.