SCHEMBL5364784

SCHEMBL5364784

c1csc(CC2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.44
CTSC P53634 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2375467 0.98 HPGD (0.51) KMT2AMEN1HPGDHSD17B10CTSC
SCHEMBL10722024 0.98 HPGD (0.51) KMT2AMEN1HPGDHSD17B10CTSC
SCHEMBL1930288 0.91
Ammonia Solution, Strong SCHEMBL4916614 0.89 HSD17B10 (0.47) KMT2AMEN1HPGDHSD17B10HRH3
Acetic Acid SCHEMBL9372583 0.87 HPGD (0.53) KMT2AMEN1HPGDCTSCPOLB
SCHEMBL8643295 0.82 HSD17B10 (0.41) KMT2AMEN1HPGDHSD17B10HRH3
SCHEMBL2679157 0.82 GBA1 (0.52) KMT2AHSD17B10HRH3POLBMAPT
SCHEMBL13681486 0.82 HSD17B10 (0.46) KMT2AMEN1HPGDHSD17B10HRH3
SCHEMBL29064506 0.81 HRH3 (0.42) KMT2AMEN1HPGDHSD17B10HRH3
SCHEMBL8110624 0.79 HRH3 (0.51) KMT2AMEN1HSD17B10HRH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036221-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B Luc Therapeutics, Inc. (US) 2016-06-29 EP disclosed
WO-2015048507-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 US disclosed
EP-0690863-B1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LAB (US) 2003-03-05 EP disclosed
CN-1046723-C Tetracyclic compounds as dopamine agonists ABBOTT LAB (US) 1999-11-24 CN disclosed
US-5597832-A TREATMENT OF NEUROLOGICAL, PSYCHOLOGICAL, CARDIOVASCULAR DISORDERS, AND SUBSTANCE ABUSE, BEHAVIOR DISORDERS, COGNITIVE IMPAIRMENT AND ATTENTION DEFICIT DISORDER ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
CN-1124489-A Tetracyclic compounds as dopamine agonists ABBOTT LAB (US) 1996-06-12 CN disclosed
EP-0690863-A1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-01-10 EP disclosed
EP-0690863-A4 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LAB (US) 1995-11-07 EP disclosed
WO-1994022858-A1 TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1994-10-13 WO disclosed
US-4647585-A Bicycloheptane substituted ethers E. R. SQUIBB & SONS, INC. (US) 1987-03-03 US disclosed
US-4608386-A ASTHMA E. R. SQUIBB & SONS, INC. (US) 1986-08-26 US disclosed
US-4258198-A ANTHELMINTICS SMITHKLINE CORPORATION (US) 1981-03-24 US disclosed
US-4025638-A ANTHELMINTICS SMITHKLINE CORPORATION (US) 1977-05-24 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-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK KMT2A 4060/4885MEN1 3855/4885HPGD 1435/4885

“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.