SCHEMBL1096969

SCHEMBL1096969

COC(=O)CC(c1ccccc1)C(C#N)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.51
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ANPEP P15144 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4428619 0.86 ALDH1A1 (0.48) KCNA5KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL1105718 0.84 KCNA5 (0.40) KCNA5KMT2AALDH1A1POLBKDM4E
SCHEMBL10695903 0.82 KCNA5 (0.53) KCNA5KMT2AALDH1A1
SCHEMBL7247968 0.82 SMN1; SMN2 (0.54) KMT2AALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL1096505 0.81 KCNA5 (0.37) KCNA5KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12473253 0.81 KCNA5 (0.65) KCNA5KMT2AALDH1A1POLB
SCHEMBL657980 0.77 ALDH1A1 (0.48) KMT2AALDH1A1L3MBTL1MEN1KDM4E
SCHEMBL22262945 0.77 KMT2A (0.68) KMT2AALDH1A1SMN1; SMN2ANPEPPTGS1
SCHEMBL27904916 0.77 KCNA5 (0.47) KCNA5KMT2AALDH1A1
SCHEMBL10982403 0.77 KMT2A (0.53) KMT2AALDH1A1SMN1; SMN2ANPEPPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
EP-2085383-A1 PIPERIDINE DERIVATIVES OR SALTS THEREOF Astellas Pharma Inc. (JP) 2009-08-05 EP 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 KCNA5 1525/4885KMT2A 2134/4885ALDH1A1 1644/4885

“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.