SCHEMBL29465638

SCHEMBL29465638

O=c1c2ccccc2ncn1CCC1CCCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
ACHE P22303 1/20 0.55
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
STAT3 P40763 1/20 0.46
HTR1A P08908 2/20 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
SCHEMBL8070436 0.77 HTR1A (0.58) POLBACHEHTTATMNPSR1
SCHEMBL31548481 0.75 ACHE (0.66) POLBACHETSHRHTTNPSR1
SCHEMBL28239167 0.75 SMN1; SMN2 (0.55) POLBACHEALDH1A1HTTNPSR1
SCHEMBL19049515 0.74 LMNA (0.61) POLBHTTCYP1A2CYP2D6CYP2C9
SCHEMBL29930695 0.73 NPSR1 (0.65) POLBACHEKDM4ETSHRALDH1A1
SCHEMBL31094938 0.72 DRD2 (0.63) POLBACHEKDM4ENPSR1TDP1
SCHEMBL6922022 0.71 KDM4E (0.50) POLBKDM4ETSHRALDH1A1HPGD
SCHEMBL874574 0.71 CYP1A2 (0.59) POLBACHEHTTCYP1A2CYP2D6
SCHEMBL30089425 0.71 CYP1A2 (0.59) POLBACHEHTTCYP1A2CYP2D6
SCHEMBL28866778 0.71 CYP2C9 (0.59) POLBALDH1A1HPGDHTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251092-A1 CASEIN KINASE 1EPSILON INHIBITOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2022-08-11 US disclosed
EP-3964512-A1 CASEIN KINASE 1epsilon INHIBITOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2022-03-09 EP 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-20220251092-A1 CASEIN KINASE 1EPSILON INHIBITOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF CSNK1E, CSNK1A1, CSNK1G1 POLB 2392/4885ACHE 1731/4885KDM4E 566/4885

“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.