SCHEMBL891480

SCHEMBL891480

COc1cccc(C(=O)NCCN)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ GAA P10253 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ MMP13 P45452 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ HPGD P15428 3/20 0.61
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ TP53 P04637 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ NAMPT P43490 1/20 0.57

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
Hydrochloric Acid SCHEMBL9584599 0.98 ALDH1A1 (0.62) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL15923038 0.89 NAMPT (0.65) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL9491894 0.86 GAA (0.73) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL6361446 0.86 GAA (0.73) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL30098865 0.86 ALDH1A1 (0.73) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL11756934 0.86 GAA (0.73) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL27951641 0.86 ALDH1A1 (0.65) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL27951600 0.85 GAA (0.68) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL10077314 0.85 MTNR1A (0.65) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL3827918 0.84 GAA (0.82) ALDH1A1GAAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 — — US claimed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 — — EP claimed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 — — WO claimed
EP-1986622-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-11-05 — — EP claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 — — EP claimed
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2008-10-16 — — US 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-20070232603-A1 Small-molecule modulators of TRP-P8 activity DENDREON CORPORATION (US) 2007-10-04 — — US claimed
WO-2007095340-A2 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2007-08-23 — — WO 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
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
EP-2510925-B1 Small-Molecule modulators of TRP-P8 activity DENDREON CORP (US) 2016-07-20 — — EP disclosed
US-8697691-B2 Alkyl 3-((2-amidoethyl)amino)-8-azabicyclo[3.2.1]octane-8-carboxylate analogs as selective M1 agonists and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-04-15 — — US disclosed
US-8618155-B2 Small-molecule modulators of Trp-p8 activity DENDREON CORPORATION (US) 2013-12-31 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ALDH1A1 686/4885GAA 805/4885MAPT 3395/4885
US-20070232603-A1 Small-molecule modulators of TRP-P8 activity TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885GAA 4591/4885MAPT 3585/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ALDH1A1 686/4885GAA 805/4885MAPT 3395/4885
US-20080255185-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885GAA 4591/4885MAPT 3585/4885
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ALDH1A1 4789/4885GAA 4591/4885MAPT 3585/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R ALDH1A1 423/4885GAA 473/4885MAPT 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.

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