SCHEMBL923348

SCHEMBL923348

O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2N1)c1cccc2c1CCO2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.43
HTR4 Q13639 11/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC9A1 P19634 1/20 0.35
HPGD P15428 1/20 0.35
MTNR1A P48039 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL1571449 0.89 MTNR1B (0.43) MTNR1BHTR4NPC1ALDH1A1SLC9A1
SCHEMBL1572199 0.78 HTR4 (0.50) HTR4CNR1CNR2
SCHEMBL1340659 0.74 MTNR1B (0.43) MTNR1BHTR4NPC1ALDH1A1SLC9A1
SCHEMBL924740 0.71 MTNR1B (0.38) MTNR1BHTR4
SCHEMBL14640388 0.71 CHRM1 (0.49) HTR4
SCHEMBL30184431 0.71 MTNR1B (0.50) MTNR1BHTR4MTNR1A
SCHEMBL30292443 0.68 POLB (0.48) MTNR1BMTNR1A
SCHEMBL923968 0.68 HIF1A (0.50)
SCHEMBL10375846 0.68 HTR4 (0.53) HTR4CNR1CNR2
SCHEMBL29133954 0.67 MTNR1B (0.46) MTNR1BNPC1SLC9A1MTNR1A

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-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 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-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R MTNR1B 74/4885HTR4 279/4885NPC1 763/4885

“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.