SCHEMBL5900697

SCHEMBL5900697

CCN1CCCC(CN)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
KDM4E B2RXH2 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
CCR2 P41597 3/20 0.35
KCNH2 Q12809 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
HTR2A P28223 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL10683885 0.87
SCHEMBL734892 0.87
SCHEMBL10271864 0.87
Hydrochloric Acid SCHEMBL10687809 0.85 NCF1 (0.46) NCF1SMN1; SMN2
Hydrochloric Acid SCHEMBL9437326 0.85 NCF1 (0.46) NCF1SMN1; SMN2
SCHEMBL2425235 0.84 DRD2 (0.47) NCF1DRD2DRD3
Trifluoroacetic Acid SCHEMBL5791449 0.84 DPP8 (0.40) CHRM5CCR2KCNH2SMN1; SMN2HSD11B1
SCHEMBL9926453 0.83 BCHE (0.40) DRD2DRD3CHRM5ADRA2CCCR2
SCHEMBL12718219 0.83 BCHE (0.40) DRD2DRD3CHRM5ADRA2CCCR2
SCHEMBL12718204 0.83 BCHE (0.40) DRD2DRD3CHRM5ADRA2CCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908953-B2 Crosslinker-accelerator system for polyacrylates TESA SE (DE) 2018-03-06 US claimed
EP-2617789-B1 Crosslinking accelerator system for polyacrylates TESA SE (DE) 2014-12-17 EP claimed
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN POSEIDON INNOVATION 1, INC. 2024-07-04 US disclosed
WO-2023121971-A1 NANOMATERIALS COMPRISING TETRAVALENT LIPID COMPOUNDS BEAM THERAPEUTICS INC. (US) 2023-06-29 WO disclosed
WO-2019148136-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
US-9908953-B2 Crosslinker-accelerator system for polyacrylates TESA SE (DE) 2018-03-06 US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
WO-2016081679-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 WO disclosed
EP-2617789-B1 Crosslinking accelerator system for polyacrylates TESA SE (DE) 2014-12-17 EP disclosed
US-20130190457-A1 Crosslinker-Accelerator System for Polyacrylates TESA SE (DE) 2013-07-25 US disclosed
EP-2617789-A1 Crosslinking accelerator system for polyacrylates tesa SE (DE) 2013-07-24 EP disclosed
US-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones PFIZER INC 2006-06-29 US disclosed
EP-0626373-B1 Quinazolinone derivatives SUMITOMO PHARMA (JP) 1998-12-23 EP disclosed
US-5556860-A ANTIISCHEMIC AGENTS, BRAIN DISORDERS AND BLOOD METAL CONCENTRATIONS AND KIDNEY DISEASE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1996-09-17 US disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 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 (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-20060142312-A1 C6-aryl and heteroaryl substituted pyrido[2,3-D] pyrimidin-7-ones CDK4, CDK2, CCNA1 NCF1 3058/4885KDM4E 450/4885DRD2 941/4885
US-20240217952-A1 TREATMENT OF GRAFT-VERSUS-HOST DISEASE WITH INHIBITORS OF BET FAMILY BDII BROMODOMAIN BRDT, BET1, BRD4 NCF1 283/4885KDM4E 674/4885DRD2 2366/4885

“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.