SCHEMBL4192965

SCHEMBL4192965

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.44
HTR2A P28223 3/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MAP4K1 Q92918 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DPP4 P27487 1/20 0.37
SLC18A3 Q16572 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 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
SCHEMBL10112214 0.90 CCR5 (0.48) CCR5HTR2AHTR2CHTR7CARM1
SCHEMBL23962815 0.85 HTR2A (0.41) CCR5HTR2AHTR2CHTR7CARM1
SCHEMBL23962430 0.85 SLC6A3 (0.52) HTR2AHTR2CHTR7CARM1PRMT6
SCHEMBL26424747 0.81 HTR2A (0.43) CCR5HTR2AHTR2CHTR7CARM1
SCHEMBL4201156 0.81 HRH3 (0.38) CYP1A2CYP2D6TSHRHRH3DPP4
SCHEMBL26187431 0.77 HTR2A (0.47) CCR5HTR2AHTR2CHTR7CARM1
SCHEMBL2813379 0.77 CCR5 (0.43) CCR5HTR2AHTR2CHTR7CYP1A2
SCHEMBL26187454 0.76 HTR2A (0.46) CCR5HTR2AHTR2CHTR7CARM1
SCHEMBL22957917 0.75 HTR2A (0.51) HTR2AHTR2CHTR7CYP2D6
SCHEMBL189154 0.73 HTR2A (0.46) HTR2AHTR2CHTR7CARM1PRMT6

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 CCR5 458/4885HTR2A 215/4885HTR2C 235/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R CCR5 416/4885HTR2A 196/4885HTR2C 223/4885

“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.