SCHEMBL12015288

SCHEMBL12015288

CC1(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN(C(=O)[C@@H]2CCCCN2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
P2RX7 Q99572 1/20 0.38
LMNA P02545 1/20 0.37
CXCR3 P49682 3/20 0.37
S1PR2 O95136 1/20 0.37
ACP1 P24666 1/20 0.37
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
CYP2D6 P10635 2/20 0.36
WNT3 P56703 2/20 0.36
SFRP1 Q8N474 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CCR4 P51679 1/20 0.36

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
SCHEMBL12015159 1.00 ALDH1A1 (0.40) ALDH1A1P2RX7LMNACXCR3S1PR2
SCHEMBL12005722 0.89 S1PR2 (0.41) ALDH1A1P2RX7LMNAS1PR2ACP1
SCHEMBL6863044 0.89 S1PR2 (0.41) ALDH1A1P2RX7LMNAS1PR2ACP1
SCHEMBL6863109 0.89 S1PR2 (0.41) ALDH1A1P2RX7LMNAS1PR2ACP1
SCHEMBL6863181 0.85 S1PR2 (0.41) ALDH1A1P2RX7S1PR2WNT3SFRP1
SCHEMBL4279471 0.84 EPHX2 (0.45) ALDH1A1P2RX7LMNACXCR3ACP1
SCHEMBL4279470 0.84 EPHX2 (0.45) ALDH1A1P2RX7LMNACXCR3ACP1
SCHEMBL12015290 0.84 EPHX2 (0.45) ALDH1A1P2RX7LMNACXCR3ACP1
SCHEMBL6863132 0.82 S1PR2 (0.40) P2RX7CXCR3S1PR2CYP2D6
SCHEMBL6863244 0.82 S1PR2 (0.40) P2RX7CXCR3S1PR2CYP2D6

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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 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-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS CACNA1G, CACNA1I, CACNA1H ALDH1A1 2690/4885P2RX7 526/4885LMNA 847/4885

“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.