SCHEMBL6752003

SCHEMBL6752003

COCN1c2ccccc2Nc2nccnc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
IDH1 O75874 3/20 0.36
AKT1 P31749 9/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALPL P05186 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL6747312 0.81 ALDH1A1 (0.45) ALDH1A1IDH1AKT1SMN1; SMN2KDM4E
SCHEMBL6750409 0.78 AKT1 (0.35) ALDH1A1IDH1AKT1SMN1; SMN2KDM4E
SCHEMBL6747353 0.77 ALDH1A1 (0.43) ALDH1A1IDH1AKT1SMN1; SMN2RAB9A
SCHEMBL6745573 0.77 GAA (0.47) ALDH1A1IDH1AKT1SMN1; SMN2KDM4E
SCHEMBL6749081 0.77 ALDH1A1 (0.50) ALDH1A1AKT1SMN1; SMN2KDM4EGAA
SCHEMBL6747868 0.76 ALDH1A1 (0.43) ALDH1A1IDH1SMN1; SMN2KDM4ERAB9A
SCHEMBL6749181 0.75 BRPF1 (0.41) ALDH1A1IDH1AKT1SMN1; SMN2KDM4E
SCHEMBL6749102 0.74 ALDH1A1 (0.42) ALDH1A1IDH1AKT1SMN1; SMN2RAB9A
SCHEMBL6749236 0.74 ALDH1A1 (0.41) ALDH1A1IDH1AKT1SMN1; SMN2MAPT
SCHEMBL6747496 0.72 TP53 (0.33) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1

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-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
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 ALDH1A1 145/4885IDH1 4609/4885AKT1 3609/4885

“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.