SCHEMBL21628259

SCHEMBL21628259

N[C@@H]1CCN(c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
KHK P50053 1/20 0.54
DPP4 P27487 4/20 0.51
NAMPT P43490 1/20 0.51
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH4 Q9H3N8 3/20 0.47
BPTF Q12830 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
LTA4H P09960 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42

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
SCHEMBL314421 1.00 NOTUM (0.55) NOTUMKHKDPP4NAMPTMBTD1
SCHEMBL8386956 1.00 NOTUM (0.55) NOTUMKHKDPP4NAMPTMBTD1
Hydrochloric Acid SCHEMBL30775632 0.98 NOTUM (0.53) NOTUMKHKDPP4NAMPTMBTD1
Hydrochloric Acid SCHEMBL30775623 0.98 NOTUM (0.53) NOTUMKHKDPP4NAMPTMBTD1
SCHEMBL21460347 0.89 NAMPT (0.50) NOTUMKHKDPP4NAMPTHRH4
SCHEMBL21460344 0.89 NAMPT (0.50) NOTUMKHKDPP4NAMPTHRH4
SCHEMBL12073215 0.88 NOTUM (0.47) NOTUMKHKDPP4NAMPTMBTD1
SCHEMBL2657503 0.88 NOTUM (0.47) NOTUMKHKDPP4NAMPTMBTD1
SCHEMBL931643 0.87 MBTD1 (0.57) NOTUMDPP4MBTD1L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL4009258 0.86 NOTUM (0.46) NOTUMKHKDPP4NAMPTMBTD1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511190-A Pressure sensor fault detection JANSSEN PHARMACEUTICA NV (BE) 2009-08-19 CN claimed
CN-117177744-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2023-12-05 CN disclosed
CN-109311854-B Benzazepine dicarboxamide compounds having secondary amide functionality 豪夫迈·罗氏有限公司 2021-08-10 CN disclosed
US-10544102-B2 Benzazepine dicarboxamide compounds with secondary amide function HOFFMANN-LA ROCHE INC. (US) 2020-01-28 US disclosed
CN-109311854-A Benzazepine diformamide compound with secondary amide functional group 豪夫迈·罗氏有限公司 2019-02-05 CN disclosed
CN-101511190-A Pressure sensor fault detection JANSSEN PHARMACEUTICA NV (BE) 2009-08-19 CN 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-10544102-B2 Benzazepine dicarboxamide compounds with secondary amide function TLR1, TLR5, TLR4 NOTUM 1701/4885KHK 3044/4885DPP4 541/4885

“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.