SCHEMBL8397103

SCHEMBL8397103

O=C(NCC1CCC1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
TPSAB1 Q15661 2/20 0.52
TPSD1 Q9BZJ3 2/20 0.52
TPSG1 Q9NRR2 2/20 0.52
CNR1 P21554 3/20 0.52
KDM4E B2RXH2 1/20 0.50
EPHX1 P07099 2/20 0.48
HTT P42858 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
F2R P25116 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CA9 Q16790 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
SCHEMBL8391191 0.98 TPSAB1 (0.54) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL8394609 0.96 HRH3 (0.56) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL8393806 0.96 HRH3 (0.56) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL3249887 0.96 HRH3 (0.56) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL8392658 0.96 HRH3 (0.56) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL8397665 0.96 HRH3 (0.56) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL8392252 0.94 TPSAB1 (0.54) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL8392241 0.94 HRH3 (0.54) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL3791428 0.92 KDM4E (0.54) HRH3TPSAB1TPSD1TPSG1CNR1
SCHEMBL8396874 0.92 TPSAB1 (0.55) HRH3TPSAB1TPSD1TPSG1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 85/4885TPSAB1 444/4885TPSD1 485/4885

“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.