SCHEMBL12430282

SCHEMBL12430282

CC1c2c(sc3ccccc23)C2CNCC12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.47
GPR3 P46089 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12430254 0.69 HTR2C (0.42) HTR2C
SCHEMBL12430283 0.66 PNMT (0.41) HTR2CGPR3
SCHEMBL4072746 0.65 HTR2C (0.51) HTR2C
SCHEMBL12430270 0.64 HTR2C (0.53) HTR2C
SCHEMBL1889695 0.64 HTR2C (1.00) HTR2CHTR2A
SCHEMBL6311778 0.64 MEN1 (0.46) HTR2CHTR2A
SCHEMBL12430250 0.62 HTR2C (0.49) HTR2C
SCHEMBL29317134 0.62 GPR3 (0.40) GPR3CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1896512 0.60 HTR2C (1.00) HTR2CHTR2A
SCHEMBL12430267 0.60 HTR2C (0.53) HTR2C

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 7 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
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

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 2/4885GPR3 127/4885CYP1A1 829/4885

“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.