SCHEMBL2676338

SCHEMBL2676338

c1ccc2c(c1)CCCN2C1CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
HTR2B P41595 3/20 0.50
ALDH1A1 P00352 3/20 0.42
PARP1 P09874 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
NOTUM Q6P988 1/20 0.39
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AGTR2 P50052 1/20 0.38
DPP4 P27487 1/20 0.38
HTR2A P28223 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2676013 0.92 OPRM1 (0.48) HTR2CHTR2BALDH1A1PARP1OPRM1
SCHEMBL2676664 0.82 HTR2C (0.38) HTR2CHTR2BALDH1A1PARP1SMN1; SMN2
SCHEMBL21307179 0.79 HTR2C (0.60) HTR2CHTR2BALDH1A1OPRM1OPRD1
SCHEMBL21307175 0.79 HTR2C (0.60) HTR2CHTR2BALDH1A1OPRM1OPRD1
SCHEMBL2675787 0.76 HTR2C (0.57) HTR2CHTR2BALDH1A1OPRM1OPRD1
SCHEMBL30962052 0.76 NOTUM (0.42) ALDH1A1PARP1NOTUMPOLBSMN1; SMN2
SCHEMBL5871428 0.75 HTR2C (0.83) HTR2CHTR2BALDH1A1OPRM1OPRD1
SCHEMBL16948341 0.74 HTR2C (0.59) HTR2CHTR2BALDH1A1OPRM1OPRD1
SCHEMBL25355930 0.74 HTR2A (0.40) HTR2CHTR2BPOLBSMN1; SMN2HTR2A
SCHEMBL30796961 0.74 GAA (0.47) HTR2CHTR2BALDH1A1PARP1OPRM1

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 9 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
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
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 HTR2C 1041/4885HTR2B 1332/4885ALDH1A1 1027/4885

“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.