SCHEMBL6745575

SCHEMBL6745575

COCN1c2cc(-c3ccccn3)ccc2N(C)c2nccnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
BACE1 P56817 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TGFBR1 P36897 1/20 0.36
METAP2 P50579 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
CXCR1 P25024 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
FFAR1 O14842 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CYP2A6 P11509 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL6751843 0.79 L3MBTL1 (0.37) BRD4CYP1A2CYP2C19HTR1AHRH3
SCHEMBL21392408 0.74 CYP2A6 (0.44) BACE1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL6749214 0.69 BACE1 (0.39) BACE1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL13507611 0.66 PDK2 (0.41) BRD4BACE1CYP1A2CYP2D6CYP19A1
SCHEMBL502867 0.62 KDM4E (0.62) CYP1A2HTR1AHTR7CYP2A6HRH3
SCHEMBL29679578 0.62 KDM4E (0.62) CYP1A2HTR1AHTR7CYP2A6HRH3
SCHEMBL5797361 0.61 MEN1 (0.56)
SCHEMBL183897 0.61 DYRK1A (0.66) CYP19A1TGFBR1FFAR1ABL1BCR
SCHEMBL29496946 0.61 MEN1 (0.56)
SCHEMBL29496945 0.61 DYRK1A (0.66) CYP19A1TGFBR1FFAR1ABL1BCR

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 BRD4 40/4885BACE1 1964/4885CYP1A2 19/4885

“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.