SCHEMBL13248481

SCHEMBL13248481

CC(C)(C)c1ccc(N2CC[C@@H](O)C2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.59
KDM4E B2RXH2 1/20 0.45
ABL1 P00519 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.43
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
METAP2 P50579 2/20 0.40
TACR1 P25103 3/20 0.40
TACR3 P29371 3/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 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
SCHEMBL14349616 1.00 TRPV1 (0.59) TRPV1KDM4EABL1LMNAKMT2A
SCHEMBL10331337 0.91 KDM4E (0.50) TRPV1KDM4EABL1LMNAKMT2A
SCHEMBL13248476 0.88 TRPV1 (0.46) TRPV1KDM4EABL1LMNAHRH3
SCHEMBL6575058 0.85 KDM4E (0.61) TRPV1KDM4EABL1LMNAKMT2A
SCHEMBL10107061 0.85 KDM4E (0.61) TRPV1KDM4EABL1LMNAKMT2A
SCHEMBL14349205 0.84 MAPT (0.46) TRPV1KDM4EABL1LMNAKMT2A
SCHEMBL24655824 0.80 PDE10A (0.52) TRPV1HRH3METAP2GPR119
SCHEMBL14376027 0.80 PDE10A (0.52) TRPV1HRH3METAP2GPR119
SCHEMBL14349619 0.80 HRH4 (0.49) KDM4EABL1LMNAHRH3CYP3A4
SCHEMBL14349635 0.80 HRH3 (0.43) TRPV1KDM4EABL1LMNAKMT2A

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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B TRPV1 448/4885KDM4E 2671/4885ABL1 3014/4885

“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.