SCHEMBL4009934

SCHEMBL4009934

Brc1cc2c(nc1N1CCOCC1)CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.45
HTR2B P41595 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.42
IGF1R P08069 1/20 0.41
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
KHK P50053 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
HTR2A P28223 1/20 0.36
MLNR O43193 3/20 0.35
CYP2D6 P10635 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 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
Hydrochloric Acid SCHEMBL4209527 0.99 HTR2C (0.47) HTR2CHTR2BALDH1A1MAPK1TSHR
SCHEMBL4011266 0.87 TSHR (0.40) HTR2CHTR2BALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL4198485 0.86 TSHR (0.39) HTR2CHTR2BALDH1A1MAPK1TSHR
SCHEMBL4015311 0.83 HTR2C (0.45) HTR2CHTR2BALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL4196445 0.82 HTR2C (0.47) HTR2CHTR2BALDH1A1MAPK1TSHR
SCHEMBL4016366 0.79 HTR2C (0.42) HTR2CHTR2BALDH1A1MAPK1TSHR
Hydrochloric Acid SCHEMBL4204429 0.78 HTR2C (0.44) HTR2CHTR2BALDH1A1MAPK1TSHR
SCHEMBL10200534 0.74 ALDH1A1 (0.40) HTR2CALDH1A1MAPK1TSHRIGF1R
Hydrochloric Acid SCHEMBL2109130 0.73 ALDH1A1 (0.39) HTR2CALDH1A1MAPK1TSHRIGF1R
SCHEMBL4014837 0.72 HTR6 (0.36) HTR2CHTR2BHTR2A

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 9 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 claimed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO claimed
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
EP-2094695-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS Cascade Therapeutics Inc. (CA) 2009-09-02 EP disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A HTR2C 1/4885HTR2B 7/4885ALDH1A1 1316/4885

“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.