SCHEMBL4274583

SCHEMBL4274583

CC(C)(C)c1cc(N2CCN(C(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)cc(C(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
TSHR P16473 8/20 0.50
CYP3A4 P08684 6/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
HIF1A Q16665 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
USP2 O75604 4/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
CYP2C9 P11712 4/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4274664 0.82 HSP90AA1 (0.59) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL16276143 0.80 SMN1; SMN2 (0.84) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL4283608 0.79 KMT2A (0.51) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL23643500 0.77 FFAR4 (0.49) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL12061486 0.77 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL11916143 0.77 HIF1A (0.56) POLBTSHRCYP3A4ALDH1A1HIF1A
SCHEMBL4273078 0.77 LMNA (0.60) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL5376583 0.76 FFAR4 (0.54) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL4273972 0.76 MLYCD (0.61) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL3764926 0.76 HIF1A (0.48) MEN1KMT2ASMN1; SMN2POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014192865-A1 PHENYLPIPERAZINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2014-12-04 WO disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270413-A1 DI-T-BUTYLPHENYL PIPERAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1C, CACNA1I MEN1 3335/4885KMT2A 3934/4885SMN1; SMN2 2531/4885

“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.