SCHEMBL2675807

SCHEMBL2675807

COC(=O)CCc1ccccc1NC1CCN(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ SSTR4 P31391 2/20 0.42
▸ SSTR1 P30872 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CHRM3 P20309 2/20 0.40

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
SCHEMBL24260215 0.79 CYP3A4 (0.46) CYP3A4SSTR4SSTR1SCN1ASCN2A
SCHEMBL24260213 0.77 CYP3A4 (0.44) CYP3A4SSTR4SSTR1SCN1ASCN2A
SCHEMBL9280712 0.76 CYP3A4 (0.46) CYP3A4SSTR4SSTR1NSD2POLB
SCHEMBL24260305 0.76 CYP3A4 (0.43) CYP3A4SSTR4SSTR1SCN1ASCN2A
SCHEMBL12415575 0.75 KDM4E (0.55) KDM4EPOLBCHEK1CHEK2
SCHEMBL10675188 0.73 TSHR (0.47) KDM4ETDP1POLBEGFR
SCHEMBL10438855 0.72 CYP4F2 (0.58) KDM4ETDP1EGFRAKT1
SCHEMBL22605778 0.72 ALDH1A1 (0.45) CYP3A4KDM4ETDP1L3MBTL1NSD2
SCHEMBL10371031 0.72 CDK1 (0.43) CYP3A4SSTR4KDM4ESCN1ASCN2A
SCHEMBL3642902 0.72 GAA (0.50) CYP3A4SSTR4KDM4EL3MBTL1SCN1A

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 7 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
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
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
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
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 — — US 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 CYP3A4 116/4885SSTR4 4401/4885SSTR1 4620/4885

“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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