SCHEMBL4030600

SCHEMBL4030600

Cc1ccnc(CC=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KDM4E B2RXH2 3/20 0.42
NOS2 P35228 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP2A6 P11509 1/20 0.37
PLAU P00749 1/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1A P35348 2/20 0.35

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
SCHEMBL20399820 0.81 CCR1 (0.53) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL27974103 0.81 UHRF1 (0.42) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL23139999 0.80 UHRF1 (0.45) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL22818582 0.78 NOS1 (0.45) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL16175631 0.78 NOS3 (0.50) KDM4ENOS2MEN1KMT2ANOS3
SCHEMBL510181 0.77
SCHEMBL318009 0.77
SCHEMBL30932457 0.76 UHRF1 (0.54) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL1821486 0.76 KDM4E (0.33) KDM4EKMT2A
SCHEMBL3363951 0.76 ALDH1A1 (0.38) CCR1KDM4EALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-20230087342-A1 AZEPANE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2023-03-23 US disclosed
WO-2022210479-A1 USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES 日本ケミファ株式会社 2022-10-06 WO disclosed
EP-4039331-A1 AZEPAN DERIVATIVE Nippon Chemiphar Co., Ltd. (JP) 2022-08-10 EP disclosed
CN-114761082-A Azepane derivatives 日本化学药品株式会社 2022-07-15 CN disclosed
WO-2021065898-A1 AZEPAN DERIVATIVE 日本ケミファ株式会社 2021-04-08 WO disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 WO disclosed
US-7550476-B2 Condensed polycyclic compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-23 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-5237068-A From aldehydes or ketones with ammonia using a zeolite catalyst KOEI CHEMICAL COMPANY, LIMITED (JP) 1993-08-17 US 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 (2 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 UHRF1 4596/4885CCR1 4148/4885CCR5 3683/4885
US-20230087342-A1 AZEPANE DERIVATIVE ADCY10, AZI2, PRMT1 UHRF1 1459/4885CCR1 2181/4885CCR5 2194/4885

“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.