SCHEMBL3493643

SCHEMBL3493643

O=C(c1ncn(-c2cccc(N3CCOCC3)c2)c1-c1ccccc1)N1[C@H](CO)CNC[C@H]1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
ATM Q13315 13/20 0.38
PIK3C3 Q8NEB9 8/20 0.38
ATR Q13535 2/20 0.38
PRKDC P78527 1/20 0.37
PIM1 P11309 1/20 0.35
KMO O15229 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
SCHEMBL3495289 0.89 TMEM97 (0.39) KIF11ATMPIK3C3ATR
SCHEMBL3492277 0.87 CA1 (0.43) KIF11ATMPIK3C3ATRPRKDC
Hydrochloric Acid SCHEMBL3493933 0.86 CA1 (0.42) KIF11ATMPIK3C3ATRPRKDC
SCHEMBL3494487 0.82 CA1 (0.42) KIF11ATMPIK3C3PIM1KMO
SCHEMBL3494809 0.82 HCRTR1 (0.43) KIF11ATM
SCHEMBL5140406 0.78 CPT1A (0.38) ATRPIM1KMO
SCHEMBL3495628 0.78 CPT1A (0.38) ATRPIM1KMO
SCHEMBL3491780 0.78 KMO (0.52) ATRPRKDCPIM1KMO
SCHEMBL5134025 0.76 CA1 (0.44) KIF11ATMKMO
SCHEMBL3494697 0.76 CA1 (0.44) KIF11ATMKMO

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 2 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

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 KIF11 4471/4885ATM 2412/4885PIK3C3 3664/4885

“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.