SCHEMBL3346867

SCHEMBL3346867

COC(=O)c1cccc(C(OCCN)c2cc(F)cc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
GPR139 Q6DWJ6 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
MRGPRX4 Q96LA9 3/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SLC7A5 Q01650 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL3341708 0.87 ADRB2 (0.41) TRPM8ADRB2ADRB1ADRB3GPR139
SCHEMBL13305222 0.84 GPR139 (0.40) TRPM8LOXL2ADRB2ADRB1ADRB3
SCHEMBL8077058 0.84 ADRB2 (0.40) TRPM8LOXL2ADRB2ADRB1ADRB3
SCHEMBL3343678 0.83 LOXL2 (0.50) LOXL2CYP4F2CYP4A11RAB9ASLC7A5
SCHEMBL3343098 0.81 LOXL2 (0.48) LOXL2ADRB2ADRB1ADRB3GPR139
SCHEMBL3641704 0.80 LOXL2 (0.47) LOXL2CYP4F2CYP4A11MAPTSLC7A5
SCHEMBL3341021 0.79 ADRB2 (0.46) TRPM8LOXL2ADRB2ADRB1ADRB3
SCHEMBL3341164 0.78 REN (0.39) TRPM8ADRB2ADRB1ADRB3GPR139
SCHEMBL3341162 0.78 HTR1A (0.39) TRPM8ADRB2ADRB1ADRB3GPR139
SCHEMBL8067231 0.77 GPR139 (0.38) TRPM8ADRB2ADRB1ADRB3GPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
EP-2170815-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO 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-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP TRPM8 2844/4885LOXL2 2685/4885ADRB2 1093/4885

“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.