SCHEMBL4011266

SCHEMBL4011266

Brc1cc2c(nc1N1CCCCC1)CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HTR2C P28335 5/20 0.39
HTR2A P28223 4/20 0.39
HTR2B P41595 3/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH1 P35367 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 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 SCHEMBL4198485 0.99 TSHR (0.39) TSHRHTR2CHTR2AHTR2BALDH1A1
SCHEMBL4009934 0.87 HTR2C (0.45) TSHRHTR2CHTR2AHTR2BALDH1A1
Hydrochloric Acid SCHEMBL4209527 0.86 HTR2C (0.47) TSHRHTR2CHTR2AHTR2BALDH1A1
SCHEMBL4012380 0.82 HTR2C (0.39) HTR2CHTR2AHTR2BUSP2SMN1; SMN2
Hydrochloric Acid SCHEMBL4196366 0.81 HTR2C (0.38) HTR2CHTR2AHTR2BUSP2SMN1; SMN2
SCHEMBL4016366 0.71 HTR2C (0.42) TSHRHTR2CHTR2BALDH1A1MAPK1
SCHEMBL4198501 0.71 ADCY6 (0.44) HTR2CHTR2AHTR2BPRNPRXFP1
SCHEMBL4010697 0.71 HTR2C (0.69) HTR2CHTR2AHTR2BALDH1A1MAPK1
SCHEMBL4006035 0.71 HTR2C (0.69) HTR2CHTR2AHTR2BALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4204429 0.70 HTR2C (0.44) TSHRHTR2CHTR2BALDH1A1MAPK1

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 6 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
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 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 TSHR 175/4885HTR2C 1/4885HTR2A 2/4885

“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.