SCHEMBL4040068

SCHEMBL4040068

O=C1[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.67
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.42
DDAH1 O94760 1/20 0.41
ELANE P08246 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HTR6 P50406 1/20 0.35
RECQL P46063 1/20 0.34
CNR1 P21554 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL4040077 1.00 AR (0.67) ARMAPTALDH1A1PKMHPGD
SCHEMBL4042115 1.00 AR (0.67) ARMAPTALDH1A1PKMHPGD
SCHEMBL4037215 0.92 AR (0.57) ARMAPTALDH1A1PKMHPGD
SCHEMBL7246754 0.88 AR (0.53) ARMAPTALDH1A1PKMHPGD
SCHEMBL14033291 0.88 AR (0.53) ARMAPTALDH1A1PKMHPGD
SCHEMBL13964575 0.82 AR (0.71) ARALDH1A1
SCHEMBL5865668 0.82 AR (0.71) ARKMT2AMEN1HTTHTR6
SCHEMBL5865677 0.82 AR (0.71) ARALDH1A1
SCHEMBL4040772 0.82 AR (0.71) ARKMT2AMEN1HTTHTR6
SCHEMBL5865675 0.82 AR (0.71) ARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP claimed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 WO claimed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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 (4 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 AR 1257/4885MAPT 751/4885ALDH1A1 3369/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS AR 1106/4885MAPT 4825/4885ALDH1A1 4117/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885MAPT 4504/4885ALDH1A1 4518/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 AR 43/4885MAPT 4504/4885ALDH1A1 4518/4885

“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.