SCHEMBL21142262

SCHEMBL21142262

CCCCCC(CCCCC)Cc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 5/20 0.40
▸ LMNA P02545 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ RARB P10826 2/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL23030401 0.95 BDKRB2 (0.41) BDKRB2ALDH1A1HTTSMN1; SMN2RIPK1
SCHEMBL13003497 0.83 S1PR1 (0.37) BDKRB2LMNAHTR2AHTTRARB
SCHEMBL23030534 0.81 HTT (0.35) ALDH1A1HTTRIPK1
SCHEMBL17825557 0.77 LIPG (0.36) BDKRB2LMNAALDH1A1RARBRARA
SCHEMBL28167914 0.76 RARB (0.53) ALDH1A1RARBRARARARG
SCHEMBL14353644 0.76 BDKRB2 (0.56) BDKRB2LMNAHTR2A
SCHEMBL28163233 0.76 BDKRB2 (0.56) BDKRB2LMNAHTR2A
SCHEMBL14402388 0.76 HTR2A (0.53) LMNAHTR2AALDH1A1RARBRARA
SCHEMBL8036329 0.76 BDKRB2 (0.37) BDKRB2LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL14353201 0.76 BDKRB2 (0.37) BDKRB2LMNAHTR2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322107-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the kappa opioid receptor NEKTAR THERAPEUTICS (US) 2019-06-18 — — 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-10322107-B2 N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)-2-aminophenylacetamide derivatives agonists for the kappa opioid receptor OPRK1, OPRM1, OPRD1 BDKRB2 382/4885LMNA 4388/4885HTR2A 68/4885

“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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