SCHEMBL7112750

SCHEMBL7112750

C1=CN(Cc2ccccc2-c2cc3ccccc3o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ HTR2C P28335 1/20 0.41
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ PTPRC P08575 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL18015826 0.72 MAOB (0.57) MAOAMAOBHTR2CPTPRCPTPN1
SCHEMBL21480315 0.72 MAOB (0.57) MAOAMAOBHTR2CPTPRCPTPN1
SCHEMBL2208757 0.72 HDAC6 (0.60) MAOAMAOBHTR2CPTPRCPTPN1
SCHEMBL8893064 0.72 MAOB (0.57) MAOAMAOBHTR2CPTPRCPTPN1
SCHEMBL4901772 0.72 MAOB (0.57) MAOAMAOBHTR2CPTPRCPTPN1
SCHEMBL21480331 0.72 MAOB (0.57) MAOAMAOBHTR2CPTPRCPTPN1
SCHEMBL1111832 0.72 MAPK1 (0.47) MAOAMAOBHTR2CMAPK1RECQL
SCHEMBL6878764 0.70 MAOA (0.44) MAOAMAOBHTR2CMAPK1RECQL
SCHEMBL30307575 0.70 MAOB (0.50) MAOAMAOBHTR2CPTPRCPTPN1
Hydrochloric Acid SCHEMBL10537421 0.69 CYP19A1 (0.62) MAOAMAOB

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-20030139442-A1 Vasoactive agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-24 — — 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-20030139442-A1 Vasoactive agents VIPR2, VIPR1, GPR4 MAOA 1289/4885MAOB 1744/4885HTR2C 500/4885

“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.

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