SCHEMBL21778445

SCHEMBL21778445

CC(C)c1ccc(F)c(CCC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
MAOA P21397 1/20 0.37
HTR2C P28335 7/20 0.35
HTR2A P28223 5/20 0.35
HTR1D P28221 1/20 0.34
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
DAO P14920 1/20 0.32
SLC6A4 P31645 3/20 0.32

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
SCHEMBL20208498 0.94 MAOB (0.37) MAOBMAOAHTR2CHTR2ADAO
SCHEMBL20370302 0.88 MAOB (0.36) MAOBMAOAHTR2CHTR2A
SCHEMBL21778442 0.88 MAOB (0.36) MAOBMAOAHTR2CHTR2ASLC6A4
SCHEMBL18374089 0.78 MAOB (0.40) MAOBMAOAHTR2CHTR2ASLC6A4
SCHEMBL21508221 0.78 HTR1D (0.38) HTR1D
SCHEMBL15120280 0.77 HTR1D (0.38) HTR2CHTR2AHTR1DSLC6A4
SCHEMBL21929506 0.76 EPHX1 (0.39) HTR1DSLC6A4
SCHEMBL765949 0.76 HTR1D (0.37) HTR2CHTR2AHTR1DDAOSLC6A4
SCHEMBL23052673 0.75 MAOB (0.38) MAOBMAOAHTR2CHTR2ASLC6A4
SCHEMBL20204601 0.75 CYP2D6 (0.39) MAOBMAOAHTR2CHTR2AHTR1D

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-10577321-B2 Deoxyuridine triphosphatase inhibitors UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-03-03 US disclosed
US-9102599-B2 N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-11 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 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 (4 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-20100041717-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 MAOB 483/4885MAOA 1422/4885HTR2C 1639/4885
US-10577321-B2 Deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD MAOB 1863/4885MAOA 2475/4885HTR2C 3985/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 MAOB 880/4885MAOA 2017/4885HTR2C 3137/4885
US-20130184279-A1 N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES CETP, APOB, CES1 MAOB 289/4885MAOA 1189/4885HTR2C 2000/4885

“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.