SCHEMBL5596602

SCHEMBL5596602

Nc1ncc2c3c(cccc13)N(C1CCCNC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 0.43
HTR2B P41595 15/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
BMPR1A P36894 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
HTR2A P28223 3/20 0.40
DRD2 P14416 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL5596798 0.88 HTR2C (0.46) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5596967 0.87 HTR2C (0.43) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5596782 0.87 HTR2C (0.43) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5596751 0.84 HTR2C (0.48) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5596964 0.84 HTR2C (0.40) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5597017 0.84 HTR2C (0.41) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5596790 0.84 HTR2C (0.41) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5597073 0.82 HTR2C (0.41) HTR2CHTR2BNOS3NOS1NOS2
SCHEMBL5597061 0.82 OPRM1 (0.35) HTR2CHTR2BBMPR1AACVRL1ACVR1
SCHEMBL5597133 0.81 HTR2C (0.40) HTR2CHTR2BNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-20060247266-A1 Nitrogen-containing tricyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-11-02 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-20060247266-A1 Nitrogen-containing tricyclic compounds MYO1B, CHRM1, MYL12A HTR2C 1430/4885HTR2B 1795/4885NOS3 609/4885

“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.