SCHEMBL5534706

SCHEMBL5534706

NC(=O)C1(Cc2ccc(C(F)(F)F)cc2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.45
HSD11B1 P28845 1/20 0.43
IDO1 P14902 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.40
SLC6A4 P31645 2/20 0.39
SLC6A2 P23975 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SRD5A2 P31213 1/20 0.38
FAAH O00519 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL5526973 0.83 SLC6A4 (0.50) SLC6A3KDM4EALDH1A1MAOBSLC6A4
SCHEMBL5520748 0.81 CYP3A4 (0.47) SLC6A3SLC6A4SLC6A2
SCHEMBL4600032 0.81 EPHX1 (0.41) HSD11B1ALDH1A1TSHR
SCHEMBL2864888 0.79 MAOA (0.46) SLC6A3KDM4EALDH1A1MAOBSLC6A4
SCHEMBL6244722 0.77 MAOA (0.47) SLC6A3KDM4EALDH1A1MAOBSLC6A4
SCHEMBL5275909 0.76 HSD11B1 (0.43) HSD11B1IDO1ALDH1A1HPGDTSHR
SCHEMBL5523971 0.76 ALDH1A1 (0.46) ALDH1A1TSHRKMT2APOLB
SCHEMBL5075664 0.75 EPHX1 (0.52) HSD11B1IDO1MAOBMEN1KMT2A
SCHEMBL28475617 0.74 MAOA (0.47) SLC6A3HSD11B1KDM4EALDH1A1MAOB
SCHEMBL16083425 0.74 OPRM1 (0.47) HSD11B1IDO1ALDH1A1MAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 SLC6A3 95/4885HSD11B1 561/4885IDO1 210/4885

“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.