SCHEMBL2312959

SCHEMBL2312959

COc1ccc(CCc2cccc(N)c2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
NR3C2 P08235 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
ABCB1 P08183 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP19A1 P11511 1/20 0.42
APEX1 P27695 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
GRM2 Q14416 1/20 0.41

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
SCHEMBL2316255 0.85 KMT2A (0.55) KDM4EPOLBMTNR1AMTNR1BALDH1A1
SCHEMBL4135386 0.83 MAOA (0.50) MAOAMAOBKDM4EPOLBALDH1A1
SCHEMBL2312989 0.81 MTNR1A (0.50) KDM4EMTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL19810785 0.81 PTGER4 (0.53) MTNR1AMTNR1BAKR1C3ABCB1SMN1; SMN2
SCHEMBL2317908 0.80 KDM4E (0.46) KDM4EPOLBMTNR1AMTNR1BALDH1A1
SCHEMBL13877023 0.79 MAOA (0.61) MAOAMAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4674534 0.79 ABCB1 (0.59) ABCB1HTR1ADRD2APEX1
SCHEMBL7568923 0.77 SMN1; SMN2 (0.51) KDM4EPOLBSMN1; SMN2CYP19A1
SCHEMBL8889562 0.77 NPC1 (0.52) MAOAKDM4EALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7125179 0.76 MTNR1A (0.58) KDM4EPOLBMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349964-B1 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C A I R BIOSCIENCES GMBH (DE) 2015-09-09 EP disclosed
EP-2349964-B1 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C A I R BIOSCIENCES GMBH (DE) 2015-09-09 EP disclosed
US-8633312-B2 Dibenzocycloheptatone derivatives and pharmaceutical agents containing said compounds C-A-I-R BIOSCIENCES GMBH (DE) 2014-01-21 US disclosed
US-8633312-B2 Dibenzocycloheptatone derivatives and pharmaceutical agents containing said compounds C-A-I-R BIOSCIENCES GMBH (DE) 2014-01-21 US disclosed
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 US disclosed
US-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2012-05-10 US disclosed
EP-2349964-A2 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS c-a-i-r biosciences GmbH (DE) 2011-08-03 EP disclosed
EP-2206534-A1 Dibenzocycloheptanone derivatives und pharmaceutical agents containing these compounds c-a-i-r biosciences GmbH (DE) 2010-07-14 EP disclosed
WO-2010040843-A2 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2010-04-15 WO disclosed
WO-2010040843-A2 DIBENZOCYCLOHEPTANONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS C-A-I-R BIOSCIENCES GMBH (DE) 2010-04-15 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 (1 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-20120115862-A1 DIBENZOCYCLOHEPTATONE DERIVATIVES AND PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS IL1B, NFKBIA, IL1R1 MAOA 2492/4885MAOB 1589/4885KDM4E 1736/4885

“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.