SCHEMBL4515500

SCHEMBL4515500

CC(C)Oc1ccc(N2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.66
HTR3E A5X5Y0 4/20 0.66
HTR3B O95264 4/20 0.66
HTR3A P46098 4/20 0.66
HTR3D Q70Z44 4/20 0.66
HTR3C Q8WXA8 4/20 0.66
SIGMAR1 Q99720 4/20 0.66
LTA4H P09960 4/20 0.57
MAPT P10636 2/20 0.50
HTR1A P08908 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
TGFBR1 P36897 1/20 0.50
ACVR1 Q04771 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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 SCHEMBL15703247 0.98 ADRB1 (0.64) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5237290 0.94 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27416572 0.86 ADRB1 (0.62) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5740819 0.86 ADRB1 (0.67) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL20000542 0.83 MAPT (0.66) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7074380 0.82 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28261627 0.82 ADRB1 (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4928979 0.81 ADRB1 (0.69) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27617702 0.81 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL7076503 0.81 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D

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
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor NIPPON CHEMIPHAR CO., LTD. (JP) 2009-08-13 US disclosed
EP-1897872-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2008-03-12 EP disclosed
CN-1760193-A Antifungal compound of alkyl substitutional triazole class NO 2 ARMY MEDICAL UNIV P L A (CN) 2006-04-19 CN disclosed
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1368011-A1 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
WO-2002067912-A2 METHOD FOR TREATING PPAR GAMMA MEDIATED DISEASES OR CONDITIONS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-06 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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 ADRB1 1258/4885HTR3E 2355/4885HTR3B 2429/4885
US-20040077659-A1 Method for treating ppar gamma mediated diseases or conditions PPARG, PPARA, PPARD ADRB1 88/4885HTR3E 1885/4885HTR3B 1122/4885
US-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor PPARA, PPARG, PPARD ADRB1 110/4885HTR3E 3534/4885HTR3B 2698/4885

“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.