SCHEMBL1601283

SCHEMBL1601283

COC1(c2ccc(C(F)(F)F)cc2CNc2nnn(C)n2)CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CETP P11597 7/20 0.33
TACR1 P25103 1/20 0.33
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BACE1 P56817 1/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL1600671 0.78 CETP (0.41) CETPTACR1
SCHEMBL1600614 0.78 CETP (0.41) CETPTACR1
SCHEMBL1601612 0.76 CETP (0.42) CETPTACR1
SCHEMBL27740295 0.75 MAPT (0.45) MAPTUSP2TSHRHDAC3HDAC1
SCHEMBL1600377 0.75 TACR1 (0.42) TSHRCETPTACR1SMN1; SMN2SLC6A4
SCHEMBL1600303 0.74 ALOX15 (0.39) CETPSLC6A4SLC6A3
SCHEMBL1599512 0.74 ALOX15 (0.39) CETPSLC6A4SLC6A3
SCHEMBL3949919 0.74 SLC6A4 (0.36) CETPTACR1SLC6A4SLC6A3
SCHEMBL1601207 0.74 SLC6A4 (0.36) CETPTACR1SLC6A4SLC6A3
SCHEMBL1600539 0.74 CETP (0.42) CETPTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 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-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP MAPT 539/4885USP2 3841/4885TSHR 1243/4885

“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.