SCHEMBL6383000

SCHEMBL6383000

CN(Cc1ccccc1)C(=O)CN1CCc2ccccc2C1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.66
HCRTR2 O43614 3/20 0.66
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TSPO P30536 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL6377523 0.84 HCRTR1 (0.91) HCRTR1HCRTR2
SCHEMBL6376798 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6376227 0.80 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL6382577 0.80 HCRTR1 (0.85) HCRTR1HCRTR2
SCHEMBL6375492 0.77 HCRTR1 (0.87) HCRTR1HCRTR2
SCHEMBL6380099 0.77 HCRTR1 (0.85) HCRTR1HCRTR2
SCHEMBL6369598 0.76 PRCP (0.60) HCRTR1GRIN1GRIN2B
SCHEMBL6381271 0.75 HCRTR1 (0.89) HCRTR1HCRTR2
SCHEMBL6378584 0.75 HCRTR1 (0.81) HCRTR1HCRTR2
SCHEMBL1016012 0.75 HRH3 (0.50) HCRTR1HCRTR2

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
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 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-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885GRIN1 269/4885

“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.