SCHEMBL4075783

SCHEMBL4075783

CC(C)CCNC(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 2/20 0.53
HTT P42858 2/20 0.51
PKM P14618 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
NAMPT P43490 4/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL31055419 0.89 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL31055396 0.89 SMN1; SMN2 (0.56) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL12760708 0.84 SMN1; SMN2 (0.57) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL29115579 0.82 HPGD (0.55) SMN1; SMN2HPGDHTTALDH1A1L3MBTL1
SCHEMBL31055452 0.81 HPGD (0.59) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL17887994 0.79 SMN1; SMN2 (0.77) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL10099572 0.79 SMN1; SMN2 (0.67) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL18193848 0.79 NPC1 (0.67) SMN1; SMN2LMNANPC1RAB9AHPGD
SCHEMBL14331842 0.77 MLYCD (0.50) LMNAHPGDPKMGAAALDH1A1
SCHEMBL6570929 0.77 SMN1; SMN2 (0.69) SMN1; SMN2LMNANPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101583593-A Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER PROD INC (US) 2009-11-18 CN disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 SMN1; SMN2 2395/4885LMNA 3030/4885NPC1 4420/4885

“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.