SCHEMBL18994656

SCHEMBL18994656

NC1CCN(c2ncc(Br)cc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.41
▸ KIT P10721 1/20 0.41
▸ OPRK1 P41145 9/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ AR P10275 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ SSTR4 P31391 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PRKCQ Q04759 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
SCHEMBL21171249 0.82 OPRK1 (0.44) OPRK1SSTR4
SCHEMBL20045330 0.80 OPRK1 (0.46) OPRK1CNR2
SCHEMBL16944572 0.80 OPRK1 (0.63) OPRK1
SCHEMBL2418069 0.79 EPHX2 (0.56) CNR2
SCHEMBL3953284 0.79 KDM4E (0.48) CNR2
SCHEMBL3824884 0.78 POLB (0.46) OPRK1AKT2KCNH2RPS6KB1AKT1
SCHEMBL22907106 0.76 OPRK1 (0.37) OPRK1ARSSTR4RPS6KB1
SCHEMBL29631786 0.75 HSD11B1 (0.46) OPRK1
SCHEMBL1349136 0.74 EPHX2 (0.64) FLT3PRKCAGSK3BPRKCQ
SCHEMBL4499593 0.72 SMN1; SMN2 (0.46) AKT2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099954-A1 NOVEL KAPPA OPIOID LIGANDS SCRIPPS RESEARCH INST (US) 2018-04-12 — — US disclosed
US-9682966-B2 Kappa opioid ligands THE SCRIPPS RESEARCH INSTITUTE (US) 2017-06-20 — — 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-20180099954-A1 NOVEL KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRL1 FLT3 4358/4885KIT 3559/4885OPRK1 1/4885

“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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