SCHEMBL1893906

SCHEMBL1893906

CC(C)(C)NC(=O)O.c1ccc2c(c1)CC1CNCC21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
SSTR4 P31391 9/20 0.39
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
EGFR P00533 1/20 0.35
KDM1A O60341 1/20 0.34
OXTR P30559 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
SSTR1 P30872 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL1896665 0.83 HTR2C (0.67) HTR2CSSTR4CHRNB2CHRNA4
SCHEMBL1895538 0.81 HTR2C (0.43) HTR2CSSTR4
SCHEMBL1897659 0.80 HTR2C (0.59) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9278829 0.80 HTR2C (0.59) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL9672275 0.79 HTR2C (0.57) HTR2CCHRNB2CHRNA4KDM1ACHRNB4
SCHEMBL26534229 0.67 ACKR3 (0.53) TRPM8
SCHEMBL29613747 0.67 HTR2C (0.42) HTR2CCHRNB2CHRNA4KDM1A
SCHEMBL1047199 0.67 HTR2C (0.42) HTR2CCHRNB2CHRNA4KDM1A
SCHEMBL7376647 0.67 HTR2C (0.42) HTR2CCHRNB2CHRNA4KDM1A
SCHEMBL852627 0.66 MEN1 (0.53) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3

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 HTR2C 6/4885SSTR4 152/4885CHRNB2 1042/4885
US-20110172283-A1 Tricyclic Indeno-Pyrrole Derivatives as Serotonin Receptor Modulators HTR5A, HTR3E, HTR1E HTR2C 6/4885SSTR4 152/4885CHRNB2 1042/4885
US-20060025601-A1 Tricyclic indeno-pyrrole derivatives as serotonin receptor modulators HTR5A, HTR3E, HTR1E HTR2C 6/4885SSTR4 152/4885CHRNB2 1042/4885
US-20090239925-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E HTR2C 6/4885SSTR4 152/4885CHRNB2 1042/4885
US-20140206739-A1 TRICYCLIC INDENO-PYRROLE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS HTR5A, HTR3E, HTR1E HTR2C 6/4885SSTR4 152/4885CHRNB2 1042/4885

“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.