SCHEMBL6747496

SCHEMBL6747496

COCN1c2ccccc2N(CCCCl)c2nccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 3/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HTR2A P28223 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SLC9A1 P19634 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM1A O60341 1/20 0.31
BRD4 O60885 2/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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 0.87 HTR2A (0.42) TP53ALDH1A1MAPK1HTR2ANPC1
SCHEMBL6749065 0.84 NPC1 (0.33) TP53DRD2HTR2ANPC1RAB9A
SCHEMBL6749056 0.75 CA12 (0.38) TP53ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7140092 0.75 MTNR1A (0.39) DRD2HTR1AHTR2ABRD4
SCHEMBL6749798 0.73 HTR1A (0.52) ALDH1A1MAPK1DRD2HTR1AHTR7
SCHEMBL6752003 0.72 ALDH1A1 (0.41) TP53ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5484265 0.71 LMNA (0.42) TP53ALDH1A1DRD2NPC1RAB9A
SCHEMBL6752165 0.70 TNF (0.41) TP53ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8464221 0.67 LMNA (0.33) LMNA
SCHEMBL6745575 0.66 BRD4 (0.38) DRD2HTR1AHTR7BRD4CYP1A2

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 TP53 550/4885ALDH1A1 145/4885MAPK1 1345/4885

“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.