SCHEMBL1895282

SCHEMBL1895282

O=C(O)C1CN(Cc2ccccc2)CC1c1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.67
MC4R P32245 1/20 0.51
S1PR5 Q9H228 6/20 0.49
S1PR1 P21453 4/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
LTK P29376 1/20 0.48
TAOK1 Q7L7X3 1/20 0.48
RORC P51449 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A12 P48065 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
TRPV4 Q9HBA0 1/20 0.43
PRKX P51817 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL28924798 0.88 DPP4 (0.52) DPP4MC4RS1PR5S1PR1DRD2
SCHEMBL6315523 0.87 DPP4 (0.61) DPP4MC4RS1PR5S1PR1DRD2
SCHEMBL1895098 0.85 DPP4 (0.58) DPP4MC4RS1PR5S1PR1DRD2
SCHEMBL8314161 0.85 DPP4 (0.49) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8314157 0.85 DPP4 (0.49) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL1896734 0.84 S1PR5 (0.50) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8317646 0.82 S1PR5 (0.51) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL8317632 0.82 S1PR5 (0.51) DPP4S1PR5S1PR1DRD2DRD3
SCHEMBL2778415 0.82 RORC (0.62) MC4RS1PR5S1PR1RORC
SCHEMBL8210627 0.82 RORC (0.62) MC4RS1PR5S1PR1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096520-B2 Tricyclic ideno-pyrrole derivatives as serotonin receptor modulators ABT HOLDING COMPANY (US) 2015-08-04 US disclosed
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ABT HOLDING COMPANY (US) 2014-07-24 US disclosed
US-8716324-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2014-05-06 US disclosed
US-20120252859-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators ATHERSYS, INC. (US) 2012-10-04 US disclosed
US-8232311-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2012-07-31 US disclosed
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators BENNANI YOUSSEF L 2011-07-14 US disclosed
US-7935830-B2 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2011-05-03 US disclosed
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. 2009-09-24 US disclosed
EP-1841738-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-10-10 EP disclosed
WO-2007081299-A2 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2007-07-19 WO disclosed
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-02-02 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 (5 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-20120252859-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E DPP4 843/4885MC4R 36/4885S1PR5 455/4885
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E DPP4 843/4885MC4R 36/4885S1PR5 455/4885
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators HTR5A, HTR3E, HTR1E DPP4 843/4885MC4R 36/4885S1PR5 455/4885
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E DPP4 843/4885MC4R 36/4885S1PR5 455/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E DPP4 843/4885MC4R 36/4885S1PR5 455/4885

“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.