SCHEMBL10186643

SCHEMBL10186643

CCCCc1ccc(C)c(CNC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.44
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
SPHK1 Q9NYA1 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL10186648 0.91 MEN1 (0.38) CYP2D6CYP2C9SPHK1CYP1A2CYP2C19
SCHEMBL663208 0.85 KDM4E (0.37) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL12138172 0.85 MAPK14 (0.36) CYP2D6CYP2C9CYP1A2CYP2C19RAB9A
SCHEMBL10186616 0.84 SPHK1 (0.40) SKP2SPHK1S1PR4S1PR1S1PR3
Ammonia Solution, Strong SCHEMBL5134889 0.83 MEN1 (0.36) CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL661848 0.81 MEN1 (0.38) CYP2D6CYP2C9CYP1A2CYP2C19RAB9A
Ammonia Solution, Strong SCHEMBL1072026 0.80 MEN1 (0.38) CYP2D6CYP2C9CYP1A2CYP2C19RAB9A
SCHEMBL11366320 0.77 SKP2 (0.58) SKP2CYP2D6CYP2C9CYP3A4CYP1A2
SCHEMBL10186619 0.77 ALDH1A1 (0.50) SPHK1RAB9AMEN1KMT2ACNR1
SCHEMBL23545671 0.76 TAAR1 (0.44) CYP2D6CYP2C9CYP1A2CYP2C19RAB9A

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 SKP2 2383/4885CYP2D6 350/4885CYP2C9 634/4885

“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.