SCHEMBL12997993

SCHEMBL12997993

CCOC(=O)C(C#N)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.48
GAA P10253 2/20 0.48
PIN1 Q13526 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL6745369 0.84 LMNA (0.54) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL6745367 0.84 MEN1 (0.40) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL2989614 0.83 KMT2A (0.47) KMT2ASMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL23091851 0.80 TDP1 (0.50) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL11767007 0.79 TDP1 (0.47) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL28576930 0.78 HTT (0.40) MEN1KMT2ASMN1; SMN2GAACA12
SCHEMBL28200879 0.78 SMN1; SMN2 (0.48) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL27715083 0.78 NPC1 (0.59) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL28226195 0.78 NPC1 (0.59) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL2098734 0.78 NPC1 (0.59) MEN1KMT2ANPC1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354870-A Method for synthesizing 3-benzyl-1- (tert-butoxycarbonyl) piperidine-3-carboxylic acid 苏州特瑞药业股份有限公司 2023-06-30 CN claimed
CN-116354870-B Method for synthesizing 3-benzyl-1- (tert-butoxycarbonyl) piperidine-3-carboxylic acid 苏州特瑞药业股份有限公司 2025-06-10 CN disclosed
CN-116354870-A Method for synthesizing 3-benzyl-1- (tert-butoxycarbonyl) piperidine-3-carboxylic acid 苏州特瑞药业股份有限公司 2023-06-30 CN disclosed
US-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-05-16 US disclosed
US-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-05-16 US disclosed
US-8389567-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-05 US disclosed
US-8389567-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-05 US disclosed
US-20100305200-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2010-12-02 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-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, ATP2A1 MEN1 2991/4885KMT2A 4709/4885NPC1 211/4885
US-20100305200-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, ATP2A1 MEN1 2991/4885KMT2A 4709/4885NPC1 211/4885

“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.