SCHEMBL6749065

SCHEMBL6749065

COCN1c2ccccc2N(CCN)c2nccnc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR2A P28223 1/20 0.31
LMNA P02545 2/20 0.31
NSD2 O96028 1/20 0.31
PIM1 P11309 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CISD1 Q9NZ45 1/20 0.30
BRD4 O60885 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL6749047 0.91 HTR2A (0.42) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL6747496 0.84 TP53 (0.33) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL7140092 0.79 MTNR1A (0.39) HTR2ABRD4DRD2
SCHEMBL6749056 0.77 CA12 (0.38) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL6750325 0.76 MAPT (0.40) SMN1; SMN2LMNA
SCHEMBL5484265 0.72 LMNA (0.42) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL6752165 0.71 TNF (0.41) TP53RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL6752003 0.71 ALDH1A1 (0.41) NPC1TP53RAB9ASMN1; SMN2KDM4E
SCHEMBL6749798 0.70 HTR1A (0.52) HTR2ALMNADRD2
SCHEMBL8464221 0.68 LMNA (0.33) LMNA

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 NPC1 2875/4885TP53 550/4885RAB9A 1768/4885

“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.