SCHEMBL4603419

SCHEMBL4603419

Cc1nc(OCCCCN2CCCCC2)cc(-c2ccc(F)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 1/20 0.51
ACP1 P24666 2/20 0.47
SCN9A Q15858 1/20 0.45

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
SCHEMBL4602839 0.99 HRH3 (0.55) HRH3MEN1LMNAHTTKMT2A
Enecadin SCHEMBL678822 0.99 HRH3 (0.55) HRH3MEN1LMNAHTTKMT2A
Hydrochloric Acid SCHEMBL6593396 0.99 HRH3 (0.52) HRH3MEN1LMNAHTTKMT2A
Enecadin SCHEMBL562985 0.98 HRH3 (0.54) HRH3MEN1LMNAHTTKMT2A
Hydrochloric Acid SCHEMBL6587974 0.98 HRH3 (0.54) HRH3MEN1LMNAHTTKMT2A
Enecadin SCHEMBL5420920 0.98 HRH3 (0.54) HRH3MEN1LMNAHTTKMT2A
Enecadin SCHEMBL5420925 0.98 HRH3 (0.54) HRH3MEN1LMNAHTTKMT2A
Enecadin SCHEMBL29406882 0.98 HRH3 (0.54) HRH3MEN1LMNAHTTKMT2A
Hydrochloric Acid SCHEMBL6586710 0.95 KCNH2 (0.53) HRH3KCNH2ACP1
Hydrochloric Acid SCHEMBL6587345 0.92 KCNH2 (0.47) KCNH2ACP1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1941879-A1 Neuroprotective agent for the treatment of neuronal damage PAION Deutschland GmbH (DE) 2008-07-09 EP claimed
US-20070021451-A1 Method for preventing or treating neurologic damage after spinal cord injury HAMAMATSU UNIVERSITY SCHOOL OF MEDICINE (JP) 2007-01-25 US claimed
EP-0781766-B1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2004-03-31 EP claimed
US-5945426-A PREVENT NEURONAL DEATH NIPPON SHINYAKU CO., LTD. (JP) 1999-08-31 US claimed
EP-0781766-A1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-07-02 EP claimed
JP-9241161-A None JP disclosed
EP-1941879-A1 Neuroprotective agent for the treatment of neuronal damage PAION Deutschland GmbH (DE) 2008-07-09 EP disclosed
US-20070021451-A1 Method for preventing or treating neurologic damage after spinal cord injury HAMAMATSU UNIVERSITY SCHOOL OF MEDICINE (JP) 2007-01-25 US disclosed
EP-0781766-B1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2004-03-31 EP disclosed
US-6191149-B1 DRUG FOR CEREBROVASCULAR DISEASE NIPPON SHINYAKU, CO., LTD. (JP) 2001-02-20 US disclosed
JP-2000136184-A HETEROCYCLIC DERIVATIVE NIPPON SHINYAKU CO LTD 2000-05-16 JP disclosed
US-5945426-A PREVENT NEURONAL DEATH NIPPON SHINYAKU CO., LTD. (JP) 1999-08-31 US disclosed
JP-H09241161-A MEDICINE NIPPON SHINYAKU CO LTD 1997-09-16 JP disclosed
EP-0781766-A1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-07-02 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-20070021451-A1 Method for preventing or treating neurologic damage after spinal cord injury SMN1; SMN2, AQP4, GAP43 HRH3 3019/4885MEN1 4187/4885LMNA 615/4885

“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.