SCHEMBL9991690

SCHEMBL9991690

O=C(Nc1ccccc1CCCO)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.54
AR P10275 1/20 0.48
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
KLK7 P49862 1/20 0.44
SLC16A3 O15427 3/20 0.40
PARP14 Q460N5 1/20 0.40
ANO1 Q5XXA6 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SLC40A1 Q9NP59 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CCR3 P51677 1/20 0.39

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
SCHEMBL12849679 0.95 TRPV1 (0.50) TRPV1ARJAK2TP53MAPT
SCHEMBL8134750 0.82 AR (0.51) ARJAK2TP53MAPTHTT
SCHEMBL4689879 0.80 SLC16A3 (0.50) TRPV1SLC16A3HDAC1HDAC7HDAC8
SCHEMBL1405006 0.80 ALDH1A1 (0.51) ARJAK2TP53MAPTHTT
SCHEMBL8419387 0.79 ALDH1A1 (0.50) TRPV1HTTSLC16A3HDAC1HDAC7
SCHEMBL6969 0.79 AR (0.51) ARJAK2TP53MAPTHTT
SCHEMBL8709315 0.76 AR (0.44) TRPV1ARJAK2TP53MAPT
SCHEMBL20856584 0.75 TGM2 (0.46) TRPV1SLC16A3ALDH1A1HPGD
SCHEMBL10649798 0.75 AR (0.48) ARJAK2TP53MAPTHTT
SCHEMBL4691306 0.75 TRPV1 (0.46) TRPV1SLC16A3ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778948-B2 Substituted phenylpiperazinyl aralkylalcohol derivatives, pharmaceutical compositions containing such derivatives and uses thereof NHWA Pharma, Corporation (CN) 2014-07-15 US disclosed
US-20110294822-A1 Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof NHWA PHARMA. CORPORATION (CN) 2011-12-01 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-20110294822-A1 Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof OPRL1, OPRK1, OPRD1 TRPV1 24/4885AR 29/4885JAK2 1812/4885

“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.