SCHEMBL3496119

SCHEMBL3496119

O=C(O)N1CCN(C(=O)c2ncn(C3CCCNC3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.39
MC3R P41968 2/20 0.39
MC1R Q01726 2/20 0.39
CA1 P00915 16/20 0.39
CA2 P00918 16/20 0.39
CA4 P22748 16/20 0.39
CA9 Q16790 16/20 0.39
SCD5 Q86SK9 1/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL3494442 0.95 CA1 (0.40) MC4RMC3RMC1RCA1CA2
SCHEMBL3493485 0.95 CA1 (0.40) MC4RMC3RMC1RCA1CA2
SCHEMBL3495613 0.95 CA1 (0.40) MC4RMC3RMC1RCA1CA2
SCHEMBL4281780 0.90 CA1 (0.42) MC4RMC3RMC1RCA1CA2
SCHEMBL8230034 0.89 ABHD6 (0.44) CA1CA2CA4CA9
SCHEMBL3493838 0.86 CA1 (0.41) MC4RMC3RMC1RCA1CA2
SCHEMBL3493179 0.85 MC4R (0.39) MC4RMC3RMC1RCA1CA2
SCHEMBL3494062 0.85 CA1 (0.48) MC4RMC3RMC1RCA1CA2
SCHEMBL8238449 0.85 ABHD6 (0.46) CA1CA2CA4CA9
SCHEMBL8238579 0.85 ABHD6 (0.46) CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 MC4R 1120/4885MC3R 334/4885MC1R 432/4885

“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.