SCHEMBL91107

SCHEMBL91107

COCC(C)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
MAPT P10636 7/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ADRB1 P08588 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.41
GFER P55789 1/20 0.41
ESRRB O95718 2/20 0.41
ESRRG P62508 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABCB1 P08183 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1991688 0.86 MAPT (0.50) ALDH1A1POLBDRD2HTR2AHRH1
SCHEMBL28160482 0.83 DRD2 (0.49) ALDH1A1POLBDRD2HTR2AHRH1
SCHEMBL81372 0.81 MAPT (0.47) ALDH1A1MAPTKDM4EPKMADRB1
SCHEMBL83026 0.80 MAPT (0.50) ALDH1A1MAPTKDM4EPKMADRB1
SCHEMBL1126955 0.80 MAPT (0.57) ALDH1A1POLBMAPTADRB1TDP1
SCHEMBL21204472 0.79 ALDH1A1 (0.41) ALDH1A1POLBMAPTKDM4EPKM
SCHEMBL81911 0.77 MAPT (0.69) ALDH1A1MAPTKDM4EPKMADRB1
SCHEMBL20548927 0.77 DRD2 (0.40) ALDH1A1POLBDRD2HTR2AHRH1
SCHEMBL7105773 0.74 ADRB1 (0.70) ALDH1A1POLBMAPTKDM4EADRB1
SCHEMBL10063748 0.74 ADRB1 (0.70) ALDH1A1POLBMAPTKDM4EADRB1

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
WO-2024105363-A1 PYRIDONE AND PYRIMIDINONE INHIBITORS OF HEMATOPOIETIC PROGENITOR KINASE 1 CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 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 (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-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 37/4885POLB 3647/4885DRD2 4600/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 87/4885POLB 3022/4885DRD2 4842/4885

“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.