SCHEMBL3495252

SCHEMBL3495252

CCOC(=O)c1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
LTA4H P09960 1/20 0.50
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PRMT1 Q99873 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
NPC1 O15118 1/20 0.46
TNF P01375 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
SCHEMBL9386461 0.87 LTA4H (0.67) MAPK1LMNALTA4HTSHRALDH1A1
SCHEMBL24350 0.81 LTA4H (0.61) LTA4HALDH1A1CA1CA2CA4
SCHEMBL3491795 0.81 LTA4H (0.61) LTA4HALDH1A1CA1CA2CA4
SCHEMBL18325 0.81 LTA4H (0.61) LTA4HALDH1A1CA1CA2CA4
SCHEMBL4975345 0.81 LTA4H (0.57) LTA4HALDH1A1SMN1; SMN2CA1CA2
SCHEMBL3493753 0.79 LTA4H (0.57) LTA4HALDH1A1CA1CA2CA4
SCHEMBL3493797 0.79 LTA4H (0.57) LTA4HALDH1A1CA1CA2CA4
SCHEMBL4972736 0.79 LMNA (0.57) MAPK1LMNATSHRALDH1A1PRMT1
SCHEMBL4975344 0.79 LTA4H (0.55) LTA4HSMN1; SMN2CA1CA2CA4
SCHEMBL4287551 0.78 LTA4H (0.63) LTA4HSMN1; SMN2MEN1KMT2ADRD2

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-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
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
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
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 MAPK1 1315/4885LMNA 201/4885LTA4H 2125/4885

“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.