SCHEMBL4832830

SCHEMBL4832830

CCN(C[C@H]1CC[C@H](C(=O)OC)CC1)c1cc2c(cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccn(C)n1)CCC2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CXCR3 P49682 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ENPP2 Q13822 1/20 0.31
TACR1 P25103 1/20 0.31
CRHR1 P34998 1/20 0.31
SYK P43405 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
Hydrochloric Acid SCHEMBL1899811 0.99 CETP (0.32) CETPMAPTTDP1CXCR3PTGDR2
SCHEMBL4824131 0.99 CETP (0.33) CETPCXCR3PTGDR2ENPP2TACR1
Hydrochloric Acid SCHEMBL1898899 0.98 CETP (0.33) CETPCXCR3PTGDR2ENPP2TACR1
SCHEMBL13118414 0.94
SCHEMBL1902292 0.94 CETP (0.34) CETP
SCHEMBL13118407 0.92 CXCR3 (0.31) CXCR3
SCHEMBL1899995 0.92 CETP (0.34) CETP
SCHEMBL4830761 0.92 CETP (0.38) CETPCXCR3PTGDR2TACR1
Hydrochloric Acid SCHEMBL1900943 0.92 CETP (0.34) CETP
Hydrochloric Acid SCHEMBL1900215 0.91 CETP (0.37) CETPCXCR3PTGDR2TACR1

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-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 US claimed
US-7807701-B2 Dibenzylamine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2010-10-05 US disclosed
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-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
US-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 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 (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-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof CETP, PCSK9, CES1 CETP 1/4885MAPT 4625/4885TDP1 589/4885

“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.