SCHEMBL1892866

SCHEMBL1892866

O=C1c2ccc(OC(F)(F)F)cc2C2CN(Cc3ccccc3)CC12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.45
ACHE P22303 4/20 0.45
BACE1 P56817 4/20 0.45
CHRM5 P08912 3/20 0.45
LIPE Q05469 2/20 0.44
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 3/20 0.43
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GRM2 Q14416 1/20 0.41
PDGFRA P16234 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CHRM3 P20309 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
SCHEMBL1892736 0.86 DRD4 (0.46) BCHEACHEBACE1CHRM5LIPE
SCHEMBL1895668 0.85 DRD2 (0.58) ACHEBACE1DRD2DRD3HTR2A
SCHEMBL1895015 0.81 DRD2 (0.56) BCHEACHEBACE1DRD2DRD3
SCHEMBL1895773 0.79 DRD2 (0.55) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL1896006 0.78 LMNA (0.44) ACHEDRD2DRD3HTR2AHTR2C
SCHEMBL8497892 0.77 DRD2 (0.50) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL8500244 0.77 DRD2 (0.50) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL8489329 0.77 DRD2 (0.50) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL1891551 0.75 DPP4 (0.49) DRD2DRD3HTR2AHTR2CHTR2B
SCHEMBL13835453 0.75 LIPE (0.55) BCHEACHEBACE1CHRM5LIPE

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 BCHE 2158/4885ACHE 1017/4885BACE1 3831/4885
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E BCHE 2158/4885ACHE 1017/4885BACE1 3831/4885
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators HTR5A, HTR3E, HTR1E BCHE 2158/4885ACHE 1017/4885BACE1 3831/4885
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E BCHE 2158/4885ACHE 1017/4885BACE1 3831/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E BCHE 2158/4885ACHE 1017/4885BACE1 3831/4885

“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.