SCHEMBL4602839

SCHEMBL4602839

Cc1nc(OCCCCCCN2CCCCC2)cc(-c2ccc(F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
KCNH2 Q12809 2/20 0.50
ACP1 P24666 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH4 Q9H3N8 1/20 0.44

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
Enecadin SCHEMBL678822 1.00 HRH3 (0.55) HRH3MEN1KMT2ALMNAHTT
Enecadin SCHEMBL29406882 0.99 HRH3 (0.54) HRH3MEN1KMT2ALMNAHTT
Enecadin SCHEMBL562985 0.99 HRH3 (0.54) HRH3MEN1KMT2ALMNAHTT
Enecadin SCHEMBL5420925 0.99 HRH3 (0.54) HRH3MEN1KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL6587974 0.99 HRH3 (0.54) HRH3MEN1KMT2ALMNAHTT
Enecadin SCHEMBL5420920 0.99 HRH3 (0.54) HRH3MEN1KMT2ALMNAHTT
SCHEMBL4603419 0.99 HRH3 (0.53) HRH3MEN1KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL6593396 0.98 HRH3 (0.52) HRH3MEN1KMT2ALMNAHTT
Hydrochloric Acid SCHEMBL6586710 0.94 KCNH2 (0.53) HRH3KCNH2ACP1
Hydrochloric Acid SCHEMBL6587345 0.91 KCNH2 (0.47) KCNH2ACP1ALDH1A1

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 11 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
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
US-5945426-A PREVENT NEURONAL DEATH NIPPON SHINYAKU CO., LTD. (JP) 1999-08-31 US 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 4187/4885KMT2A 3596/4885

“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.