SCHEMBL6749047

SCHEMBL6749047

COCN1c2ccccc2N(CCCN)c2nccnc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
PIM1 P11309 1/20 0.38
TP53 P04637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PRKCB P05771 1/20 0.32
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HASPIN Q8TF76 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
SCHEMBL6749065 0.91 NPC1 (0.33) HTR2APIM1TP53KDM4ENPC1
SCHEMBL6747496 0.87 TP53 (0.33) HTR2ATP53ALDH1A1MAPK1KDM4E
SCHEMBL7140092 0.77 MTNR1A (0.39) HTR2A
SCHEMBL6749056 0.74 CA12 (0.38) TP53ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6749798 0.72 HTR1A (0.52) HTR2AALDH1A1MAPK1
SCHEMBL6749081 0.71 ALDH1A1 (0.50) HTR2APIM1TP53ALDH1A1KDM4E
SCHEMBL6752003 0.71 ALDH1A1 (0.41) TP53ALDH1A1KDM4ENPC1RAB9A
SCHEMBL5484265 0.70 LMNA (0.42) TP53ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6752165 0.69 TNF (0.41) TP53ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL15985285 0.69 HTR2A (0.69) HTR2APIM1ALDH1A1MAPK1KDM4E

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 HTR2A 1996/4885PIM1 1193/4885TP53 550/4885

“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.