SCHEMBL4084925

SCHEMBL4084925

c1cc2c(s1)C1CNCC1C2

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
PNMT P11086 1/20 0.33
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL1802946 0.68 HTR2A (0.33) HTR2C
SCHEMBL1802944 0.68 HTR2A (0.33) HTR2C
SCHEMBL1905703 0.68 HTR2C (0.41) HTR2CPNMT
SCHEMBL12510589 0.68 HTR2C (0.49) HTR2C
SCHEMBL12430114 0.68 HTR2C (0.41) HTR2CPNMT
SCHEMBL1897659 0.65 HTR2C (0.59) HTR2C
SCHEMBL9278829 0.65 HTR2C (0.59) HTR2C
Hydrochloric Acid SCHEMBL9672275 0.64 HTR2C (0.57) HTR2C
SCHEMBL8350640 0.63
SCHEMBL17209490 0.63 TAAR1 (0.43) TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981919-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-7981919-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2011-07-19 US disclosed
EP-1796663-B1 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2011-05-04 EP disclosed
EP-1796663-A4 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2009-08-05 EP disclosed
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators BENNANI YOUSSEF L 2009-03-12 US disclosed
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators BENNANI YOUSSEF L 2009-03-12 US disclosed
US-7423056-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2008-09-09 US disclosed
US-7423056-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2008-09-09 US disclosed
EP-1796663-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-06-20 EP disclosed
WO-2006028961-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-03-16 WO 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 (1 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-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A HTR2C 2/4885PNMT 102/4885TAAR1 63/4885

“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.