SCHEMBL23083136

SCHEMBL23083136

CC(C(=O)OCc1ccccc1)c1cccnc1OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ TSHR P16473 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ PPIA P62937 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EGLN1 Q9GZT9 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
SCHEMBL23082987 0.84 L3MBTL1 (0.46) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL23082903 0.75 SCN9A (0.41) —
SCHEMBL23082972 0.74 KMT2A (0.44) L3MBTL1POLBPGRADORA3PTGS1
SCHEMBL23082917 0.73 KMT2A (0.42) RAB9APGRADORA3PTGS1SLC6A2
SCHEMBL26068714 0.72 CNR2 (0.50) TSHRPGRADORA3PTGS1SLC6A2
SCHEMBL23082984 0.72 ALDH1A1 (0.49) TSHRPOLBALDH1A1KMT2ALMNA
SCHEMBL8326325 0.72 RXRA (0.49) L3MBTL1MAPK1ALDH1A1MAPTHTT
SCHEMBL11813347 0.71 PGR (0.43) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL28662043 0.71 TDP1 (0.53) L3MBTL1TSHRRAB9APOLBMAPK1
SCHEMBL24722337 0.70 L3MBTL1 (0.46) L3MBTL1TSHRCASP3RAB9ASENP8

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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 — — US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 — — 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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 L3MBTL1 4041/4885TSHR 399/4885CASP3 4158/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 L3MBTL1 4041/4885TSHR 399/4885CASP3 4158/4885

“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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