SCHEMBL19465416

SCHEMBL19465416

CCCCCCC(C)(CCCC)c1nsc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ EPAS1 Q99814 4/20 0.33
▸ CNR2 P34972 3/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL19465445 0.84 MAPT (0.40) FAAHMGLLMAPTKDM4EALDH1A1
SCHEMBL19012881 0.81 MAPT (0.40) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL22388548 0.72 SMN1; SMN2 (0.38) FAAHMGLLMAPTALDH1A1CNR2
SCHEMBL22388545 0.72 KDM4E (0.39) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4069270 0.72 MAPT (0.50) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL22388595 0.71 FAAH (0.52) FAAHMGLLCNR2CNR1LMNA
SCHEMBL28856577 0.71 ACHE (0.42) FAAHMGLLMAPTKDM4EALDH1A1
SCHEMBL25101361 0.70 CYP2C19 (0.49) FAAHMGLLMAPTKDM4EALDH1A1
SCHEMBL23453144 0.69 CASR (0.45) ALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL22388544 0.68 CNR2 (0.33) MAPTKDM4ECNR2CNR1SMN1; SMN2

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
US-11071731-B2 Allosteric modulators of the mu opioid receptor Chiromics, LLC (US) 2021-07-27 — — US disclosed
US-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor Chiromics, LLC (US) 2020-09-03 — — US disclosed
US-9790237-B2 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-10-17 — — 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 (2 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-20200276177-A1 Allosteric Modulators of the Mu Opioid Receptor OPRM1, OPRK1, OPRD1 FAAH 252/4885MGLL 1367/4885MAPT 1331/4885
US-11071731-B2 Allosteric modulators of the mu opioid receptor OPRM1, OPRK1, OPRD1 FAAH 252/4885MGLL 1367/4885MAPT 1331/4885

“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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