SCHEMBL8397665

SCHEMBL8397665

O=C(NCC1CCCC1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
KDM4E B2RXH2 1/20 0.54
EPHX1 P07099 2/20 0.53
HTT P42858 1/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
CA9 Q16790 1/20 0.50
CNR1 P21554 3/20 0.49
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
CYP2D6 P10635 1/20 0.49
LIPE Q05469 1/20 0.47
ITGB3 P05106 1/20 0.46

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
SCHEMBL3249887 1.00 HRH3 (0.56) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8394609 1.00 HRH3 (0.56) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8392658 1.00 HRH3 (0.56) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8393806 1.00 HRH3 (0.56) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8392241 0.98 HRH3 (0.54) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8397103 0.96 HRH3 (0.53) HRH3KDM4EEPHX1HTTCA12
SCHEMBL3791428 0.96 KDM4E (0.54) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8392252 0.94 TPSAB1 (0.54) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8391191 0.94 TPSAB1 (0.54) HRH3KDM4EEPHX1HTTCA12
SCHEMBL8396874 0.92 TPSAB1 (0.55) HRH3KDM4EEPHX1HTTCNR1

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-104666299-A 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof GALDERMA RES & DEV 2015-06-03 CN claimed
US-9907805-B2 Muscarinic M1 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170157139-A1 MUSCARINIC M1 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-06-08 US disclosed
CN-104666299-A 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof GALDERMA RES & DEV 2015-06-03 CN disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (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-20170157139-A1 MUSCARINIC M1 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM3 HRH3 85/4885KDM4E 3975/4885EPHX1 1381/4885

“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.