SCHEMBL2676013

SCHEMBL2676013

c1ccc2c(c1)CCN2C1CCC2(CC1)OCCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
HTR2C P28335 4/20 0.46
HTR2B P41595 3/20 0.46
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCD O00767 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
GAA P10253 4/20 0.40
GFER P55789 2/20 0.40
HPGD P15428 1/20 0.40
HTR2A P28223 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 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
SCHEMBL2676338 0.92 HTR2C (0.50) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL2677083 0.81 DPP4 (0.40) HTR2CHTR2BPARP1ALDH1A1SMN1; SMN2
SCHEMBL3723794 0.81 OPRM1 (0.65) OPRM1OPRD1OPRK1OPRL1HTR2C
SCHEMBL31134547 0.79 PARP1 (0.38) HTR2CHTR2BPARP1ALDH1A1SMN1; SMN2
SCHEMBL30962052 0.78 NOTUM (0.42) PARP1ALDH1A1SMN1; SMN2GRIN1GRIN2B
SCHEMBL27266523 0.78 NOTUM (0.42) HTR2CHTR2BPARP1ALDH1A1GRIN1
SCHEMBL30962102 0.78 NOTUM (0.42) HTR2CHTR2BPARP1ALDH1A1GRIN1
SCHEMBL5597041 0.78 PARP1 (0.36) OPRM1OPRD1OPRK1OPRL1PARP1
SCHEMBL9116396 0.77 GRIN1 (0.47) PARP1ALDH1A1GRIN1GRIN2BHPGD
SCHEMBL25355930 0.76 HTR2A (0.40) HTR2CHTR2BSMN1; SMN2GRIN1GRIN2B

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 OPRM1 779/4885OPRD1 446/4885OPRK1 309/4885

“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.