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SCHEMBL3138705

SCHEMBL3138705

COc1cc(C(=O)Cl)ccc1NC(=O)c1cc(F)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ TAS1R2 Q8TE23 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ AVPR2 P30518 2/20 0.51
▸ AVPR1A P37288 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.50
▸ RORC P51449 1/20 0.50

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
SCHEMBL3134272 0.91 ALDH1A1 (0.58) PYGLKDM4ESMN1; SMN2POLBGAA
SCHEMBL3135239 0.91 PYGL (0.69) PYGLKDM4ESMN1; SMN2POLBGAA
SCHEMBL13870777 0.87 ALDH1A1 (0.54) PYGLKDM4ESMN1; SMN2POLBGAA
SCHEMBL8242777 0.82 MAPT (0.53) PYGLKDM4ESMN1; SMN2POLBGAA
SCHEMBL4971900 0.82 POLB (0.53) PYGLKDM4ESMN1; SMN2POLBGAA
SCHEMBL13449296 0.82 ALDH1A1 (0.54) PYGLKDM4ESMN1; SMN2POLBGAA
SCHEMBL8435221 0.82 PYGL (0.58) PYGLKDM4ESMN1; SMN2POLBGAA
SCHEMBL20601617 0.81 PYGL (0.83) PYGLKDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL20601611 0.77 PYGL (0.61) PYGLSMN1; SMN2POLBGAAMAPT
SCHEMBL22871318 0.77 PYGL (0.61) PYGLKDM4ESMN1; SMN2GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687494-B2 Substituted spirobenzazepines JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 — — US disclosed
US-7687494-B2 Substituted spirobenzazepines JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 — — US disclosed
US-7687494-B2 Substituted spirobenzazepines JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 — — US disclosed
EP-1633719-B1 SUBSTITUTED SPIROBENZAZEPINES JANSSEN PHARMACEUTICA NV (BE) 2009-10-07 — — EP disclosed
EP-1633719-B1 SUBSTITUTED SPIROBENZAZEPINES JANSSEN PHARMACEUTICA NV (BE) 2009-10-07 — — EP disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 — — US disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 — — US disclosed
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES DENG XIAOHU 2009-04-23 — — US disclosed
EP-1984342-A2 NOVEL SOLID FORMS OF (4R)-1-[4-(2-CHLORO-5-FLUOROBENZOYL)AMINO-3-METHOXYBENZOYL]-1,2,3,5-TETRAHYDRO-SPIRO[4H-1-BENZAZEPINE-4,1'-[2]CYCLOPENTENE]-3'-CARBOXYLIC ACID Janssen Pharmaceutica, N.V. (BE) 2008-10-29 — — EP disclosed
US-20070179128-A1 SUBSTITUTED SPIROBENZAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-02 — — US disclosed
EP-1633721-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 — — EP disclosed
EP-1633719-A2 SUBSTITUTED SPIROBENZAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 — — EP disclosed
WO-2005037795-A2 SUBSTITUTED SPIROBENZAZEPINES JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-28 — — WO disclosed
WO-2005000819-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 — — WO disclosed
US-20040266752-A1 Substituted spirobenzazepines JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-30 — — US disclosed
US-20040266752-A1 Substituted spirobenzazepines JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-30 — — US disclosed
US-20040266752-A1 Substituted spirobenzazepines JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-30 — — US disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 — — US disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 — — US disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 — — 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 (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-20040266752-A1 Substituted spirobenzazepines AVPR2, AVPR1B, AVPR1A PYGL 439/4885KDM4E 4036/4885SMN1; SMN2 2310/4885
US-20090105220-A1 PROCESS FOR THE PREPARATION OF NONPEPTIDE SUBSTITUTED SPIROBENZOAZEPINE DERIVATIVES REN, AVPR1B, WNK1 PYGL 3898/4885KDM4E 2800/4885SMN1; SMN2 4333/4885
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives REN, AVPR1B, WNK1 PYGL 3898/4885KDM4E 2800/4885SMN1; SMN2 4333/4885
US-20070179128-A1 SUBSTITUTED SPIROBENZAZEPINES AVPR2, AVPR1B, AVPR1A PYGL 439/4885KDM4E 4036/4885SMN1; SMN2 2310/4885

“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.