SCHEMBL23082984

SCHEMBL23082984

Cc1ncc(C(F)(F)F)cc1C(C)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ AGBL2 Q5U5Z8 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SLC6A9 P48067 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ ELANE P08246 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL26068714 0.75 CNR2 (0.50) ALDH1A1MGLLTSHRGPBAR1
SCHEMBL23082987 0.75 L3MBTL1 (0.46) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL23082858 0.74 ACP3 (0.51) ALDH1A1KMT2AMEN1MGLLPOLB
SCHEMBL23082972 0.74 KMT2A (0.44) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL25831982 0.72 L3MBTL1 (0.41) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL23083136 0.72 L3MBTL1 (0.49) ALDH1A1KMT2APOLBTSHRLMNA
SCHEMBL8431628 0.72 MRGPRX4 (0.52) ALDH1A1AGBL2TRPM8MRGPRX4KMT2A
SCHEMBL21666587 0.71 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL23082917 0.70 KMT2A (0.42) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL8657646 0.70 ALDH1A1 (0.47) ALDH1A1MRGPRX4KMT2AMEN1POLB

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 ALDH1A1 1287/4885AGBL2 3041/4885TRPM8 260/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1287/4885AGBL2 3041/4885TRPM8 260/4885

“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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