SCHEMBL4520548

SCHEMBL4520548

c1cc(C[N]CC2CC2)cs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4A O75164 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTBP1 P26599 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
HSD11B1 P28845 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
LMNA P02545 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
SCHEMBL3156494 0.80 TAAR1 (0.50) TAAR1ALDH1A1MAPTMEN1KDM4A
SCHEMBL4156668 0.72 TRPA1 (0.43) ALDH1A1SIGMAR1
SCHEMBL3544721 0.69 CYP19A1 (0.39) ALDH1A1HSD17B10
SCHEMBL14873437 0.67 ALDH1A1 (0.43) TAAR1ALDH1A1MAPTMEN1KDM4A
SCHEMBL8091258 0.67
SCHEMBL4527978 0.67 ALOX5 (0.32)
SCHEMBL4532302 0.67 ADRA2A (0.46) TAAR1ALDH1A1MEN1KMT2A
SCHEMBL4520549 0.67 HDAC6 (0.47) TAAR1ALDH1A1MAPTMEN1KDM4A
SCHEMBL13503811 0.63 ALDH1A1 (0.44) TAAR1ALDH1A1MAPTMEN1KDM4A
SCHEMBL2892800 0.63

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 21 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-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
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-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US 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
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN 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 (3 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 TAAR1 185/4885ALDH1A1 686/4885MAPT 3395/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R TAAR1 185/4885ALDH1A1 686/4885MAPT 3395/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R TAAR1 81/4885ALDH1A1 423/4885MAPT 3346/4885

“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.