SCHEMBL7605544

SCHEMBL7605544

CCn1nc(Cc2ccccc2)cc1[C@H]1[C@@H]2CNC[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.40
KCNH2 Q12809 2/20 0.36
TLR8 Q9NR97 1/20 0.35
ARG1 P05089 1/20 0.35
PRCP P42785 1/20 0.35
SSTR4 P31391 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL7605548 1.00 CCR5 (0.40) CCR5KCNH2TLR8ARG1PRCP
SCHEMBL7603913 0.82 CCR5 (0.43) CCR5KCNH2ARG1PRCP
SCHEMBL5456417 0.79 CCR5 (0.48) CCR5KCNH2ARG1PRCP
Hydrochloric Acid SCHEMBL5765781 0.78 GABRA1 (0.48) CCR5KCNH2ARG1PRCP
Hydrochloric Acid SCHEMBL5764233 0.78 GABRA1 (0.48) CCR5KCNH2ARG1PRCP
SCHEMBL7604742 0.75 CCR5 (0.42) CCR5KCNH2HTR2CHTR2B
SCHEMBL7604734 0.75 CCR5 (0.42) CCR5KCNH2HTR2CHTR2B
SCHEMBL5763925 0.73 CCR5 (0.47) CCR5KCNH2PRCPHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL5764463 0.71 CCR5 (0.49) CCR5KCNH2ARG1
Trifluoroacetic Acid SCHEMBL7546206 0.71 CCR5 (0.49) CCR5KCNH2ARG1

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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 CCR5 1/4885KCNH2 3940/4885TLR8 167/4885

“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.