SCHEMBL4165129

SCHEMBL4165129

Cc1ccc(N(CCc2ccc(C(F)(F)F)cc2)C(=O)[C@@H](N)c2cccs2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.38
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TACR1 P25103 2/20 0.34
CNR1 P21554 1/20 0.34
FFAR1 O14842 1/20 0.33
UTS2R Q9UKP6 2/20 0.32
TP53 P04637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RORC P51449 1/20 0.32
MCHR1 Q99705 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL4165131 1.00 CCR2 (0.38) CCR2NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL3647588 1.00 CCR2 (0.38) CCR2NPSR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3642470 0.99 CCR2 (0.37) CCR2NPSR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3642473 0.99 CCR2 (0.37) CCR2NPSR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3642476 0.99 CCR2 (0.37) CCR2NPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL3644833 0.85 TACR1 (0.44) TACR1UTS2RTP53MCHR1
SCHEMBL3648595 0.85 TACR1 (0.44) TACR1UTS2RTP53MCHR1
SCHEMBL3644830 0.85 TACR1 (0.44) TACR1UTS2RTP53MCHR1
SCHEMBL3647718 0.82 PDE2A (0.38) CCR2TACR1UTS2RRORCMCHR1
SCHEMBL3645762 0.82 PDE2A (0.38) CCR2TACR1UTS2RRORCMCHR1

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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 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-20090036422-A1 MONOAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, MTNR1A CCR2 1224/4885NPSR1 7/4885CYP1A2 673/4885

“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.