SCHEMBL17229693

SCHEMBL17229693

CC(C)C(=O)N1CCCc2[nH]cc(C(C)C)c2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
RBP4 P02753 1/20 0.31
F12 P00748 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17229713 0.88 KDR (0.46) KDRTRPV1LMNAMAPTBAZ2B
SCHEMBL17232649 0.85 KDR (0.36) KDRCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL17229715 0.84 RIPK1 (0.46) KDRTRPV1PLA2G1BATG4BMEN1
SCHEMBL17229712 0.84 CREBBP (0.40) KDRTRPV1CHRNB2CHRNA3CHRNA4
SCHEMBL17229714 0.83 KDR (0.36) KDRMEN1KMT2AALDH1A1
SCHEMBL17465956 0.74 PLA2G1B (0.38) KDRRBP4PLA2G1BATG4BKMT2A
SCHEMBL17229700 0.74 KCNK3 (0.32) F12MEN1KMT2AALDH1A1
SCHEMBL17518076 0.71 CREBBP (0.37) KDRRBP4PLA2G1BATG4BKMT2A
SCHEMBL19006033 0.70 KDM4E (0.30) ALDH1A1
SCHEMBL25754105 0.70 MAPT (0.30) MAPT

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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 KDR 1002/4885TRPV1 1245/4885CHRNB2 1064/4885

“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.