SCHEMBL4532306

SCHEMBL4532306

c1csc(CNCC2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAN1B1 Q9UKM7 1/20 0.57
KMT2A Q03164 6/20 0.54
POLB P06746 3/20 0.54
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
HPGD P15428 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13667242 0.83 MAOB (0.61) MAN1B1KMT2APOLBALDH1A1MEN1
SCHEMBL3159042 0.80 LMNA (0.68) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL6076695 0.78 KMT2A (0.66) KMT2APOLBALDH1A1MEN1HPGD
Hydrochloric Acid SCHEMBL6122085 0.78 KMT2A (0.69) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL4679769 0.75 POLB (0.67) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL8829616 0.75 MAN1B1 (0.48) MAN1B1KMT2APOLBALDH1A1MEN1
SCHEMBL13277796 0.75 MAN1B1 (0.51) MAN1B1KMT2APOLBALDH1A1MEN1
SCHEMBL1930288 0.74
Hydrochloric Acid SCHEMBL1678642 0.74 HPGD (0.59) KMT2APOLBALDH1A1MEN1HPGD
SCHEMBL5844296 0.73 KMT2A (0.58) KMT2APOLBALDH1A1MEN1HPGD

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2019-07-11 US disclosed
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2019-05-14 US disclosed
EP-3388429-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2018-10-17 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO 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 (5 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MAN1B1 1603/4885KMT2A 1330/4885POLB 2338/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R MAN1B1 1603/4885KMT2A 1330/4885POLB 2338/4885
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 MAN1B1 1097/4885KMT2A 4107/4885POLB 4239/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 MAN1B1 1002/4885KMT2A 4144/4885POLB 4210/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R MAN1B1 1675/4885KMT2A 1616/4885POLB 1584/4885

“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.