SCHEMBL4201156

SCHEMBL4201156

CN1CCC(C(F)c2ccc(Br)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
DPP4 P27487 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
FPR2 P25090 2/20 0.34
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33

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
SCHEMBL4192965 0.81 CCR5 (0.44) HRH3DPP4CYP1A2CYP2D6TSHR
SCHEMBL10112214 0.73 CCR5 (0.48) HRH3CYP1A2CYP2D6TSHRFPR2
SCHEMBL24362653 0.69 SIGMAR1 (0.35) HRH3
SCHEMBL14930350 0.68
SCHEMBL18270957 0.68
SCHEMBL21230411 0.68
SCHEMBL20176126 0.68 CYP2D6 (0.41) HRH3CYP2D6
SCHEMBL21815500 0.67 BRD4 (0.50) HRH3CYP1A2CYP2D6ALDH1A1
SCHEMBL999428 0.67 BRD4 (0.50) HRH3CYP1A2CYP2D6ALDH1A1
SCHEMBL26503786 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (2 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-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HRH3 117/4885DPP4 942/4885CYP1A2 1189/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HRH3 125/4885DPP4 986/4885CYP1A2 1048/4885

“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.