SCHEMBL1929569

SCHEMBL1929569

COc1cc([N+](=O)[O-])ccc1OCCBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ HPGD P15428 4/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ LMNA P02545 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ HTT P42858 2/20 0.55
▸ TDP1 Q9NUW8 1/20 0.54
▸ KCNA3 P22001 1/20 0.49
▸ KCNA5 P22460 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL29897285 0.94 MAPT (0.58) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL6826390 0.94 MAPT (0.58) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL1929875 0.93 MAPT (0.60) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL6927577 0.87 MAPT (0.60) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL4038925 0.85 MAPT (0.65) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL4199965 0.85 HTT (0.59) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL224123 0.85 TDP1 (0.60) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2086989 0.85 MAPT (0.61) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL28351555 0.84 MAPT (0.54) MAPTSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL4045709 0.84 MAPT (0.64) MAPTSMN1; SMN2HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956049-B2 Melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-07 — — US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 — — US disclosed
US-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-09-03 — — US disclosed
US-7553836-B2 7-(4-Chlorophenyl)-2-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one trifluoroacetic acid salt; obesity; antidiabetic agents; antidepressants; anxiolytic agents; combination with antipsychotic drugs enhanced therayp for schizophrenic disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-30 — — US disclosed
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 — — EP disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 — — US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 — — US disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 — — US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 — — US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 — — US disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 — — EP disclosed
EP-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 — — EP disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 — — EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 — — WO disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 — — US disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 — — WO disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 — — WO disclosed
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2004-11-04 — — US disclosed
EP-1442025-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2004-08-04 — — EP disclosed
WO-2003033476-A1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2003-04-24 — — 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 (4 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-20090221548-A1 MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MCHR2, MC1R MAPT 1561/4885SMN1; SMN2 1853/4885HPGD 2002/4885
US-20040220404-A1 Pyrimidinones as melanin concentrating hormone receptor 1 MC1R, MCHR1, MCHR2 MAPT 2954/4885SMN1; SMN2 2043/4885HPGD 360/4885
US-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 MAPT 2294/4885SMN1; SMN2 3237/4885HPGD 1640/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MAPT 4341/4885SMN1; SMN2 2771/4885HPGD 2648/4885

“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.

Send feedback