SCHEMBL5451237

SCHEMBL5451237

O=C(OC1CNCCc2ccccc21)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 4/20 0.47
TAAR1 Q96RJ0 2/20 0.43
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
OPRM1 P35372 2/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM1A O60341 3/20 0.37
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL12504901 0.81 HTR2C (0.49) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL12504944 0.81 HTR2A (0.49) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL16464059 0.81 HTR2C (0.49) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL12504962 0.80 HTR2C (0.48) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL2369359 0.76 HTR2C (0.50) HTR2CHTR2AHTR2BTAAR1TSHR
Oxalic Acid SCHEMBL9797203 0.74 HTR2A (0.43) HTR2CHTR2AHTR2BTAAR1TSHR
Hydrochloric Acid SCHEMBL3694587 0.72 HTR2C (0.60) HTR2CHTR2AHTR2BTAAR1DRD2
SCHEMBL9155067 0.72 HTR2A (0.49) HTR2CHTR2AHTR2BTAAR1OPRM1
SCHEMBL175082 0.72 CYP1A2 (0.41) HTR2CHTR2AHTR2BTAAR1TSHR
SCHEMBL1520386 0.71 HTR2C (0.62) HTR2CHTR2AHTR2BTAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B HTR2C 12/4885HTR2A 78/4885HTR2B 15/4885

“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.