SCHEMBL5596572

SCHEMBL5596572

Nc1ccc2cncc3c2c1N(C1CCCNC1)CC3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 15/20 0.38
HTR2C P28335 15/20 0.38
HTR2A P28223 7/20 0.38
RPS6KA5 O75582 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
PARP1 P09874 1/20 0.33

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
SCHEMBL5597010 0.93 HTR2C (0.39) HTR2BHTR2CHTR2ANOS3NOS1
SCHEMBL5596313 0.86 HTR2C (0.37) HTR2BHTR2CHTR2ARPS6KA5NOS3
SCHEMBL5596723 0.80 HTR2C (0.45) HTR2BHTR2CHTR2ANOS3NOS1
SCHEMBL5596774 0.75
SCHEMBL5597254 0.75 PARP1 (0.33) PARP1
SCHEMBL5596564 0.73 HTR2C (0.46) HTR2BHTR2CHTR2ANOS3NOS1
SCHEMBL5418084 0.72 HTR2C (0.47) HTR2BHTR2CHTR2ANOS3NOS1
SCHEMBL5597030 0.72 PRKCZ (0.34) PARP1
SCHEMBL5597039 0.72 FPR2 (0.41)
SCHEMBL5596971 0.71 HTR2C (0.48) HTR2BHTR2CHTR2ANOS3NOS1

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 HTR2B 1795/4885HTR2C 1430/4885HTR2A 2293/4885

“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.