SCHEMBL22308085

SCHEMBL22308085

Cc1ccnc(C(F)F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
NOS3 P29474 3/20 0.35
NOS2 P35228 3/20 0.35
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL20281650 0.83 CCR1 (0.37) CCR1CCR5CCR8NOS3NOS2
SCHEMBL18988613 0.79 CCR1 (0.34) CCR1CCR5CCR8NOS3NOS2
SCHEMBL24597184 0.77 LOXL2 (0.30)
SCHEMBL21603570 0.77 NOS2 (0.54) CCR1CCR5CCR8NOS3NOS2
SCHEMBL22731108 0.77 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL31026732 0.77 CCR1 (0.35) CCR1CCR5CCR8NOS3NOS2
SCHEMBL21398387 0.75 RPS6KA3 (0.33) AAK1
SCHEMBL30872412 0.74 KMO (0.32) AAK1
SCHEMBL16992930 0.74 NCF1 (0.33)
SCHEMBL23344937 0.74 ALOX5AP (0.33) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
EP-3759109-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES INC (US) 2023-08-30 EP disclosed
US-10836769-B2 Substituted pyrrolizine compounds and uses thereof GILEAD SCIENCES, INC. (US) 2020-11-17 US disclosed
WO-2020156494-A1 CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING PYRROLO HETEROCYCLE 正大天晴药业集团股份有限公司 2020-08-06 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 (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-10836769-B2 Substituted pyrrolizine compounds and uses thereof HMBS, DHFR, HCCS CCR1 2886/4885CCR5 525/4885CCR8 1337/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CCR1 4386/4885CCR5 3092/4885CCR8 4550/4885

“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.