SCHEMBL17765359

SCHEMBL17765359

CCCCN(CCCC)[C@@](O)(CC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
ESR2 Q92731 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 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
SCHEMBL17765360 1.00 NR1H2 (0.44) NR1H2NR1H3SIGMAR1ESR2CHRM2
Hydrochloric Acid SCHEMBL28296912 0.79 SMN1; SMN2 (0.44) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1534340 0.74 KCNN4 (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1534228 0.74 KCNN4 (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1534309 0.74 KCNN4 (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5616072 0.72 NPC1 (0.43) SIGMAR1ESR2CHRM2LMNAALDH1A1
SCHEMBL11324855 0.70 KCNH2 (0.45) SIGMAR1ESR2TDP1OPRM1
SCHEMBL9153842 0.70 KCNH2 (0.45) SIGMAR1ESR2TDP1OPRM1
SCHEMBL27602017 0.70 KCNH2 (0.45) SIGMAR1ESR2TDP1OPRM1
SCHEMBL599438 0.70 NR1H2 (0.58) NR1H2NR1H3ESR2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986288-B1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SCIENCE IRELAND (IE) 2017-04-12 EP disclosed
US-9598349-B2 Quinone based nitric oxide donating compounds for ophthalmic use NICOX SCIENCE IRELAND (IE) 2017-03-21 US disclosed
US-20160145192-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2016-05-26 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-20160145192-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NQO1, NOS1, NOS2 NR1H2 893/4885NR1H3 1202/4885SIGMAR1 3461/4885

“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.