SCHEMBL3495291

SCHEMBL3495291

Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2[C@H](O)Cc2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
AGTR2 P50052 1/20 0.38
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
NOTUM Q6P988 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36
LMNA P02545 2/20 0.36
MGLL Q99685 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 2/20 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
SCHEMBL3493075 1.00 DRD2 (0.40) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3494939 0.90 DRD2 (0.39) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3493946 0.84 DRD2 (0.42) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3495904 0.84 CA1 (0.43) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3495372 0.84 CA1 (0.43) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3492364 0.84 DRD2 (0.42) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3491625 0.83 SMN1; SMN2 (0.42) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3494436 0.83 CA1 (0.52) DRD2DRD4DRD3ALDH1A1LMNA
SCHEMBL3495662 0.82 CA1 (0.42) DRD2DRD4DRD3SMN1; SMN2NPC1
SCHEMBL3496010 0.82 CA1 (0.40) DRD2DRD4DRD3SMN1; SMN2NPC1

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
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 DRD2 596/4885DRD4 853/4885DRD3 495/4885

“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.