SCHEMBL4600875

SCHEMBL4600875

COc1ccc(-c2ccc(C#N)cc2)cc1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.48
CTSA P10619 1/20 0.45
PDE4A P27815 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
AR P10275 1/20 0.42
MMP3 P08254 2/20 0.42
MMP2 P08253 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
GAA P10253 1/20 0.41
PLAU P00749 1/20 0.41
MCL1 Q07820 1/20 0.41
CFD P00746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16991664 0.88 CHEK1 (0.48) ACLYCTSAPDE4AMMP3MMP2
SCHEMBL3996717 0.88 CFD (0.51) ACLYCTSAL3MBTL1ARMMP2
SCHEMBL30468153 0.87 AR (0.50) PDE4AL3MBTL1ARALDH1A1MAPT
SCHEMBL20855586 0.87 AR (0.50) PDE4AL3MBTL1ARALDH1A1MAPT
SCHEMBL24302512 0.81 NR1H4 (0.58) ACLYPDE4AL3MBTL1MAPTMEN1
SCHEMBL6099384 0.80 ALDH1A1 (0.46) ACLYCTSAPDE4AL3MBTL1ALDH1A1
SCHEMBL22801048 0.78 KIF11 (0.47) ACLYMMP3MMP2ALDH1A1MAPT
SCHEMBL7291041 0.78 AR (0.46) PDE4AARALDH1A1MAPTSMN1; SMN2
SCHEMBL14525311 0.76 HSD17B1 (0.42) MMP3MMP2ALDH1A1MAPT
SCHEMBL13802320 0.76 AR (0.50) ACLYCTSAARMMP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 US disclosed
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ACLY 3547/4885CTSA 891/4885PDE4A 2214/4885
US-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS MAVS, ZC3HAV1, EIF2AK2 ACLY 2681/4885CTSA 2324/4885PDE4A 710/4885

“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.