SCHEMBL4679765

SCHEMBL4679765

O=C(Cc1cccs1)[N]CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 4/20 0.42
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL4532302 0.75 ADRA2A (0.46) KMT2APOLBHPGDALDH1A1MEN1
SCHEMBL4682346 0.74 TAAR1 (0.47) KMT2APOLBHPGDALDH1A1MEN1
SCHEMBL4168728 0.73 CES1 (0.45) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL7674918 0.73 HPGD (0.51) KMT2APOLBHPGDALDH1A1MEN1
SCHEMBL3563280 0.72 HPGD (0.47) KMT2APOLBHPGDALDH1A1MEN1
SCHEMBL4679769 0.72 POLB (0.67) KMT2APOLBHPGDALDH1A1HSD17B10
SCHEMBL1930288 0.72
Ammonia Solution, Strong SCHEMBL4916614 0.70 HSD17B10 (0.47) KMT2APOLBHPGDALDH1A1HSD17B10
SCHEMBL7353467 0.69 HPGD (0.60) KMT2APOLBHPGDALDH1A1MEN1
SCHEMBL3757996 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R KMT2A 1616/4885POLB 1584/4885HPGD 608/4885

“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.