SCHEMBL24399713

SCHEMBL24399713

Cc1ccnc2c1CC1CC1C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL24004102 0.80 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL23856867 0.77 ADRA1A (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL30047426 0.77 ADRA1A (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL23857683 0.77 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL30047588 0.77 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL29203133 0.73 CCR1 (0.31) CCR1CCR5CCR8NOS3NOS2
SCHEMBL23857292 0.72 MAPT (0.34)
SCHEMBL30047485 0.72 MAPT (0.34)
Hydrochloric Acid SCHEMBL23857003 0.70 MAPT (0.33)
Hydrochloric Acid SCHEMBL23856490 0.70 MAPT (0.33)

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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA CCR1 152/4885CCR5 147/4885CCR8 158/4885

“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.