SCHEMBL10087170

SCHEMBL10087170

CC(C)NC(C)(C)Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.44
DPP4 P27487 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 2/20 0.38
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
HTT P42858 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
IDO1 P14902 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35

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
SCHEMBL9913300 0.82 HPGD (0.40) CASRLMNATAAR1CYP2D6HPGD
SCHEMBL29587381 0.81 CYP2D6 (0.47) CASRLMNACYP2D6ADRB1IDO1
SCHEMBL10087162 0.80 LMNA (0.61) CASRTRPA1LMNATAAR1CYP2D6
SCHEMBL13996918 0.78 CASR (0.57) CASRADRB2
SCHEMBL10087249 0.78 LMNA (0.63) CASRDPP4KDM4ELMNATAAR1
SCHEMBL16589305 0.76 CNR2 (0.40) CASRKDM4ELMNAHTTADRB1
SCHEMBL16589316 0.76 CASR (0.42) CASRCYP2D6ADRB2ADRB1
SCHEMBL7317663 0.76 MAPK1 (0.44) CASRDPP4KDM4ETRPA1HPGD
SCHEMBL7906601 0.75 KDM4E (0.50) CASRDPP4KDM4ECYP2D6HPGD
SCHEMBL14349290 0.74 TRPA1 (0.42) CASRKDM4ETRPA1LMNATAAR1

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-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 US disclosed
US-7459460-B2 Trisubstituted heteroaromatic compounds as calcium sensing receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 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-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 CASR 276/4885DPP4 4332/4885KDM4E 4151/4885

“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.