SCHEMBL6370696

SCHEMBL6370696

Cc1ccc2c(F)ccc(C(C)(C)C)c2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
RAB9A P51151 1/20 0.39
CCR5 P51681 1/20 0.39
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.34
CTSB P07858 1/20 0.31
CTSH P09668 1/20 0.31
METAP2 P50579 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL6371397 0.79 CCR1 (0.36) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL20687488 0.78 KMT2A (0.35) KMT2A
SCHEMBL11901636 0.78 KDM4E (0.44) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL16705096 0.77 KMT2A (0.50) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL737630 0.74 CCR1 (0.41) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL22222353 0.73 CCR1 (0.40) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL9906403 0.72 CCR1 (0.37) CCR1RAB9ACCR5
SCHEMBL24446496 0.71 KMT2A (0.41) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL3462526 0.71 KMT2A (0.62) CCR1RAB9ACCR5OPRK1KMT2A
SCHEMBL13437131 0.71 KDM4E (0.56) CCR1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 CCR1 1062/4885RAB9A 2153/4885CCR5 760/4885

“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.