SCHEMBL6863109

SCHEMBL6863109

O=C(CC1(O)CCN(C(=O)[C@H]2CCCCN2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.41
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ACP1 P24666 1/20 0.37
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
WNT3 P56703 2/20 0.36
SFRP1 Q8N474 2/20 0.36
CCR4 P51679 1/20 0.36
CNR1 P21554 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
SCHEMBL6863044 1.00 S1PR2 (0.41) S1PR2P2RX7ALDH1A1LMNAACP1
SCHEMBL12005722 1.00 S1PR2 (0.41) S1PR2P2RX7ALDH1A1LMNAACP1
SCHEMBL6863181 0.94 S1PR2 (0.41) S1PR2P2RX7ALDH1A1WNT3SFRP1
SCHEMBL12015288 0.89 ALDH1A1 (0.40) S1PR2P2RX7ALDH1A1LMNAACP1
SCHEMBL12015159 0.89 ALDH1A1 (0.40) S1PR2P2RX7ALDH1A1LMNAACP1
SCHEMBL6863132 0.89 S1PR2 (0.40) S1PR2P2RX7
SCHEMBL6863244 0.89 S1PR2 (0.40) S1PR2P2RX7
SCHEMBL4279470 0.85 EPHX2 (0.45) P2RX7ALDH1A1LMNAACP1RHOC
SCHEMBL12015290 0.85 EPHX2 (0.45) P2RX7ALDH1A1LMNAACP1RHOC
SCHEMBL4279471 0.85 EPHX2 (0.45) P2RX7ALDH1A1LMNAACP1RHOC

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 3 patents. 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
US-20120220564-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 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 (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 S1PR2 1046/4885P2RX7 526/4885ALDH1A1 2690/4885

“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.