SCHEMBL962960

SCHEMBL962960

O=C(Nc1c[c]ccc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.61
GAA P10253 3/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 2/20 0.52
ESR2 Q92731 1/20 0.52
BLM P54132 1/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MLYCD O95822 1/20 0.50
MITF O75030 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
SCHEMBL6609968 0.86 ALDH1A1 (0.55) SMN1; SMN2MAPTNPSR1NPC1RAB9A
SCHEMBL750953 0.81 CYP2C9 (0.71) CYP2C9CYP2C19SMN1; SMN2GAAMAPT
SCHEMBL1848179 0.81 CYP2C9 (1.00) CYP2C9CYP2C19SMN1; SMN2GAAMAPT
SCHEMBL27472376 0.79 TRPV1 (0.62) CYP2C9CYP2C19GAAMAPTKMT2A
SCHEMBL27481184 0.78 CTSS (0.58) CYP2C9CYP2C19
SCHEMBL965567 0.77 LMNA (0.71) CYP2C19SMN1; SMN2HPGDRAB9AKMT2A
SCHEMBL964270 0.75 ALDH1A1 (0.48) CYP2C19SMN1; SMN2GAAMAPTNPC1
SCHEMBL15033571 0.75 NPC1 (0.70) CYP2C9CYP2C19SMN1; SMN2GAAMAPT
SCHEMBL162992 0.74 HPGD (0.58) SMN1; SMN2GAAHPGDKMT2ATSHR
SCHEMBL1407210 0.73 NPC1 (0.68) CYP2C9CYP2C19SMN1; SMN2GAAMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US claimed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US claimed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US claimed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP claimed
WO-2008133635-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-11-06 WO claimed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US claimed
US-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US disclosed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US disclosed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US disclosed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP disclosed
WO-2008133635-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-11-06 WO disclosed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US 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-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 CYP2C9 1869/4885CYP2C19 1569/4885SMN1; SMN2 2728/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 CYP2C9 1869/4885CYP2C19 1569/4885SMN1; SMN2 2728/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 CYP2C9 1869/4885CYP2C19 1569/4885SMN1; SMN2 2728/4885

“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.