SCHEMBL4282465

SCHEMBL4282465

COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 5/20 0.58
NPC1 O15118 1/20 0.58
ALOX15 P16050 1/20 0.58
LMNA P02545 7/20 0.52
KMT2A Q03164 3/20 0.50
ABL1 P00519 1/20 0.50
TP53 P04637 1/20 0.50
RIN1 Q13671 1/20 0.50
RBP4 P02753 1/20 0.47
TYR P14679 1/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
HTT P42858 1/20 0.46
HDAC1 Q13547 1/20 0.46

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
SCHEMBL14758418 0.83 TSHR (0.82) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL14758397 0.81 TSHR (0.76) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL16217071 0.80 TSHR (0.71) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL27725392 0.79 ALOX15 (0.69) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL18215329 0.79 ALDH1A1 (0.62) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL17502702 0.79 KMT2A (0.65) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL16276138 0.78 MAPT (0.64) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL29944079 0.78 KMT2A (0.63) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL18215257 0.78 KMT2A (0.63) KDM4EALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL4280093 0.75 LMNA (0.56) KDM4EALDH1A1TSHRLMNAKMT2A

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 KDM4E 3805/4885ALDH1A1 1924/4885CYP2C9 3771/4885

“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.