SCHEMBL3535332

SCHEMBL3535332

CCN(CC1CCCC1)c1cc2c(cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.36
GPBAR1 Q8TDU6 2/20 0.33
APAF1 O14727 3/20 0.31
UBE2N P61088 2/20 0.31
IDE P14735 2/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CCR2 P41597 3/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL5628375 0.82 TACR1 (0.33) TACR1GPBAR1APAF1UBE2NIDE
SCHEMBL3541992 0.80 CETP (0.33) TACR1APAF1UBE2NIDERECQL
SCHEMBL5669504 0.80 CETP (0.37) TACR1GPBAR1PSEN1PSEN2APH1B
SCHEMBL1898493 0.80 CETP (0.47)
Hydrochloric Acid SCHEMBL1905143 0.79 CETP (0.32) TACR1APAF1UBE2NIDERECQL
SCHEMBL4234057 0.78 GPBAR1 (0.37) TACR1GPBAR1APAF1UBE2NIDE
SCHEMBL1898453 0.77 CETP (0.34)
SCHEMBL5670198 0.76 CYP3A4 (0.33) APAF1UBE2NIDERECQLNPSR1
SCHEMBL3541354 0.76 MLYCD (0.33) TACR1CCR2
SCHEMBL4830753 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807701-B2 Dibenzylamine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2010-10-05 US disclosed
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2008-06-19 US disclosed
US-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 US disclosed
EP-1829858-A2 Dibenzylamine compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2007-09-05 EP disclosed
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP disclosed
EP-1533292-A1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-05-25 EP disclosed
US-20050059810-A1 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC 2005-03-17 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 (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-20050059810-A1 Dibenzylamine compound and medicinal use thereof CETP, CES1, APOB TACR1 1017/4885GPBAR1 175/4885APAF1 1884/4885
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof CETP, PCSK9, CES1 TACR1 803/4885GPBAR1 156/4885APAF1 2041/4885

“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.