SCHEMBL4281855

SCHEMBL4281855

CCn1nc(C)cc1C(=O)N1CCN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.38
GBA1 P04062 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4273983 0.83 ALDH1A1 (0.41) ALDH1A1KDM4EHTTMAPTGAA
SCHEMBL4284018 0.75 KDM4E (0.50) ALDH1A1KDM4EHTTMAPTGAA
SCHEMBL4274967 0.71 SIGLEC9 (0.44) ALDH1A1KDM4EHTTMAPTGAA
SCHEMBL4285450 0.71 TSHR (0.46) ALDH1A1KDM4EHTTMAPTGAA
SCHEMBL4276349 0.71 SMN1; SMN2 (0.58) ALDH1A1KDM4EHTTGAACYP3A4
SCHEMBL4276166 0.71 MEN1 (0.55) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL4273078 0.70 LMNA (0.60) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL4280093 0.68 LMNA (0.56) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL4279836 0.68 ALDH1A1 (0.50) ALDH1A1KDM4EHTTMAPTCYP2C9
SCHEMBL4284021 0.68 MEN1 (0.48) ALDH1A1KDM4EHTTMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1924/4885KDM4E 3805/4885HTT 2262/4885

“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.