SCHEMBL5762471

SCHEMBL5762471

NC(=O)c1ccc(F)c2c1OCC=C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
PARP1 P09874 10/20 0.37
DGAT1 O75907 1/20 0.37
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
PARP10 Q53GL7 2/20 0.31
PARP15 Q460N3 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MAPK1 P28482 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
SCHEMBL1374953 0.88 HTR1A (0.41) HTR1APARP1DGAT1PARP10PARP15
SCHEMBL5760894 0.86 ALB (0.33) CES2CES1
SCHEMBL1477045 0.81 RXFP1 (0.35)
SCHEMBL1362915 0.77 CA1 (0.34)
SCHEMBL5763798 0.76 GYS1 (0.35) HTR1ACES2CES1
SCHEMBL5567144 0.72 ABL1 (0.35) CES2CES1
SCHEMBL6436506 0.72 GYS1 (0.33)
SCHEMBL1477333 0.71 CA1 (0.30)
SCHEMBL1477746 0.71 CA1 (0.30)
SCHEMBL30066970 0.71 PARP1 (0.50) PARP1CYP11B1CYP11B2MAPK1

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
CN-1860112-A 3-amino chroman and 2-amino tetralin derivatives WYETH CORP (US) 2006-11-08 CN disclosed
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 HTR1A 11/4885PARP1 4403/4885DGAT1 4873/4885

“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.