SCHEMBL10108195

SCHEMBL10108195

C/N=C(/C)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.46
▸ NAAA Q02083 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ AGXT P21549 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC6A2 P23975 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
SCHEMBL5450319 0.79 TSHR (0.61) TSHRALDH1A1NPC1MAPTCA1
SCHEMBL793986 0.76 TSHR (0.56) TSHRALDH1A1NAAANPC1MAPT
SCHEMBL712779 0.76 ALDH1A1 (0.59) TSHRALDH1A1NPC1MAPTGRM5
SCHEMBL10514885 0.74 TSHR (0.54) TSHRALDH1A1NPC1MAPTCA1
SCHEMBL27396341 0.74 TSHR (0.54) TSHRALDH1A1NPC1MAPTCA1
SCHEMBL10514891 0.74 TSHR (0.54) TSHRALDH1A1NPC1MAPTCA1
SCHEMBL8621465 0.74 ALDH1A1 (0.57) TSHRALDH1A1NPC1MAPTCA1
SCHEMBL15775957 0.74 TSHR (0.40) TSHRALDH1A1NAAANPC1MAPT
SCHEMBL22149665 0.74 TSHR (0.44) TSHRALDH1A1NAAANPC1MAPT
SCHEMBL28106389 0.74 TSHR (0.65) TSHRALDH1A1NPC1MAPTCA1

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-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 — — US disclosed
US-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT IPSEN S.A.S. (FR) 2011-03-10 — — 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-20110059971-A1 DERIVATIVES OF 4-AMINOPIPERIDINE AND THEIR USE AS A MEDICAMENT SSTR4, SSTR3, SSTR1 TSHR 52/4885ALDH1A1 1795/4885NAAA 2672/4885

“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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