SCHEMBL10107177

SCHEMBL10107177

Cc1ccc(CC(=O)N(Cc2cccnc2)C(C)c2nc3ccccc3c(=O)n2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 1.00

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
SCHEMBL10087500 0.97 CXCR3 (0.97) CXCR3
SCHEMBL5833010 0.94 CXCR3 (1.00) CXCR3
Hydrochloric Acid SCHEMBL5832526 0.93 CXCR3 (1.00) CXCR3
SCHEMBL5838280 0.91 CXCR3 (1.00) CXCR3
Hydrochloric Acid SCHEMBL5833406 0.91 CXCR3 (0.99) CXCR3
SCHEMBL27015149 0.83 CXCR3 (0.87) CXCR3
SCHEMBL3103733 0.83 CXCR3 (0.84) CXCR3
SCHEMBL13151350 0.83 CXCR3 (0.84) CXCR3
SCHEMBL13151360 0.82 CXCR3 (0.86) CXCR3
SCHEMBL13151357 0.81 CXCR3 (0.83) CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207170-B2 Heterocyclic substituted piperazines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2012-06-26 US disclosed
US-20120157466-A1 HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY MERCK SHARP & DOHME CORP. 2012-06-21 US disclosed
US-20110065651-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2011-03-17 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 (2 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-20120157466-A1 HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, ACKR3, CXCR1 CXCR3 1/4885
US-20110065651-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, CCR5 CXCR3 1/4885

“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.