SCHEMBL1895668

SCHEMBL1895668

COc1ccc2c(c1)C1CN(Cc3ccccc3)CC1C2=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
DRD3 P35462 2/20 0.58
SIGMAR1 Q99720 5/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
ACHE P22303 4/20 0.49
BACE1 P56817 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1897072 0.85 DRD2 (0.58) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL861325 0.85 DRD2 (0.59) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL861326 0.85 DRD2 (0.59) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL1892866 0.85 BCHE (0.45) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL1894252 0.84 ACHE (0.53) SIGMAR1HTR2BACHEBACE1KDM4E
SCHEMBL1896006 0.84 LMNA (0.44) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL1892730 0.83 DRD2 (0.56) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL1895773 0.82 DRD2 (0.55) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL1895015 0.81 DRD2 (0.56) DRD2DRD3SIGMAR1HTR2AHTR2C
SCHEMBL8489329 0.80 DRD2 (0.50) DRD2DRD3SIGMAR1HTR2AHTR2C

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 DRD2 71/4885DRD3 146/4885SIGMAR1 459/4885
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E DRD2 71/4885DRD3 146/4885SIGMAR1 459/4885
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators HTR5A, HTR3E, HTR1E DRD2 71/4885DRD3 146/4885SIGMAR1 459/4885
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E DRD2 71/4885DRD3 146/4885SIGMAR1 459/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E DRD2 71/4885DRD3 146/4885SIGMAR1 459/4885

“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.