SCHEMBL2675482

SCHEMBL2675482

O=C(O)N1CCC(N2CCCCc3ccccc32)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.54
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD3 P35462 1/20 0.45
DPP4 P27487 1/20 0.43
AVPR2 P30518 1/20 0.43
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CHRM2 P08172 3/20 0.43
CHRM4 P08173 3/20 0.43
CHRM1 P11229 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CHRM3 P20309 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL2676323 0.96 AGTR2 (0.49) AGTR2HTR2CHTR2BMEN1KMT2A
SCHEMBL2676000 0.91 DRD3 (0.47) AGTR2HTR2CHTR2BDRD3DPP4
SCHEMBL27778262 0.88 HTR2C (0.51) AGTR2HTR2CHTR2BMEN1KMT2A
SCHEMBL2675497 0.83 HDAC1 (0.42) AGTR2DPP4
SCHEMBL2675693 0.83 BRD4 (0.43) AGTR2MEN1KMT2AAVPR2KDM4E
SCHEMBL4114242 0.82 USP30 (0.47) AGTR2HTR2CHTR2B
SCHEMBL2675232 0.82 OPRM1 (0.52) AGTR2HTR2CHTR2BDPP4MAPT
SCHEMBL2675952 0.80 MAPT (0.50) AGTR2HTR2CHTR2BDPP4MAPT
SCHEMBL2675368 0.79 DPP4 (0.42) AGTR2DPP4
SCHEMBL2675527 0.79 BRD4 (0.46) AGTR2HTR2CHTR2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
EP-2139886-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2010-01-06 EP disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 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-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 AGTR2 1371/4885HTR2C 1041/4885HTR2B 1332/4885

“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.