SCHEMBL5119293

SCHEMBL5119293

O=C(Nc1[c]cc(C(F)(F)F)cc1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.41
HPGDS O60760 1/20 0.40
FAAH O00519 1/20 0.39
NAMPT P43490 1/20 0.39
HPGD P15428 1/20 0.38
TRPV1 Q8NER1 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
GOT1 P17174 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
SCHEMBL687441 0.88 MAPT (0.52) POLBMAPTHPGDSFAAHNAMPT
SCHEMBL686377 0.88 MAPT (0.49) POLBMAPTHPGDSFAAHNAMPT
SCHEMBL5111747 0.84 EPHX2 (0.49) MAPTHPGDSMN1; SMN2
SCHEMBL655599 0.79 POLB (0.63) POLBMAPTHPGDSFAAHNAMPT
Hydrochloric Acid SCHEMBL23246046 0.78 POLB (0.66) POLBMAPTHPGDSFAAHNAMPT
SCHEMBL3072567 0.75 MAPT (0.59) POLBMAPTHPGDSFAAHNAMPT
SCHEMBL20495617 0.74 TRPV1 (0.63) MAPTTRPV1LMNAHTTCNR1
SCHEMBL14014948 0.74 RAB9A (0.52) POLBTRPV1LMNA
SCHEMBL3759186 0.73 POLB (0.59) POLBMAPTNAMPTSIGMAR1
SCHEMBL2385073 0.73 POLB (0.55) POLBMAPTHPGDSLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 POLB 1694/4885MAPT 4241/4885HPGDS 362/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 POLB 1717/4885MAPT 4369/4885HPGDS 406/4885

“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.