SCHEMBL4198501

SCHEMBL4198501

Oc1nc2c(cc1Br)CCNCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 1/20 0.44
ADCY3 O60266 1/20 0.44
ADCY9 O60503 1/20 0.44
ADCY5 O95622 1/20 0.44
ADCY8 P40145 1/20 0.44
ADCY7 P51828 1/20 0.44
ADCY2 Q08462 1/20 0.44
ADCY1 Q08828 1/20 0.44
ADCY4 Q8NFM4 1/20 0.44
HTR2C P28335 12/20 0.42
HTR2B P41595 6/20 0.42
HTR2A P28223 4/20 0.42
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR3A P46098 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL20303200 0.79 PRNP (0.51) PRNPRXFP1
SCHEMBL4215967 0.75 HTR2C (0.54) HTR2CHTR2BHTR2A
SCHEMBL2078517 0.71 HTR2A (0.58) HTR2CHTR2BHTR2A
SCHEMBL4011266 0.71 TSHR (0.40) HTR2CHTR2BHTR2APRNPRXFP1
SCHEMBL4201302 0.70 HTR2C (0.41) HTR2CHTR2BHTR2ACHRM4CHRM5
Hydrochloric Acid SCHEMBL4198485 0.70 TSHR (0.39) HTR2CHTR2BHTR2APRNPRXFP1
SCHEMBL4009934 0.70 HTR2C (0.45) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL4203349 0.69 HTR2C (0.41) HTR2CHTR2BHTR2ACHRM4CHRM5
Hydrochloric Acid SCHEMBL4209527 0.69 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL19148157 0.69 MAPT (0.43) HTR2CHTR2BHTR2APNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A ADCY6 810/4885ADCY3 505/4885ADCY9 939/4885

“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.