SCHEMBL1897649

SCHEMBL1897649

C=C1c2cccc(F)c2C2CN(Cc3ccccc3)CC12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
DPP4 P27487 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CCR5 P51681 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
GRIN2B Q13224 1/20 0.39
RORC P51449 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1891610 0.84 FUCA1 (0.41) FUCA1DRD2DRD3DPP4S1PR1
SCHEMBL1894466 0.84 SIGMAR1 (0.44) FUCA1DRD2DRD3DPP4S1PR1
SCHEMBL1892279 0.78 PNMT (0.43) FUCA1DRD2DRD3DPP4S1PR1
SCHEMBL1894238 0.77 DRD2 (0.53) FUCA1DRD2DRD3DPP4SIGMAR1
SCHEMBL1894391 0.77 DPP4 (0.50) FUCA1DRD2DRD3DPP4S1PR1
SCHEMBL861309 0.75 PARP1 (0.47) DRD2DRD3S1PR1S1PR5SIGMAR1
SCHEMBL861308 0.75 PARP1 (0.47) DRD2DRD3S1PR1S1PR5SIGMAR1
SCHEMBL1802637 0.75 PARP1 (0.47) DRD2DRD3S1PR1S1PR5SIGMAR1
SCHEMBL2598992 0.75 PARP1 (0.47) DRD2DRD3S1PR1S1PR5SIGMAR1
SCHEMBL2598990 0.75 PARP1 (0.47) DRD2DRD3S1PR1S1PR5SIGMAR1

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 FUCA1 4794/4885DRD2 71/4885DRD3 146/4885
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E FUCA1 4794/4885DRD2 71/4885DRD3 146/4885
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators HTR5A, HTR3E, HTR1E FUCA1 4794/4885DRD2 71/4885DRD3 146/4885
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E FUCA1 4794/4885DRD2 71/4885DRD3 146/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E FUCA1 4794/4885DRD2 71/4885DRD3 146/4885

“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.