SCHEMBL3494485

SCHEMBL3494485

Cc1cc(C(=O)N2CCN(C(=O)O)CC2C(=O)NCc2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.41
CNR1 P21554 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
MC4R P32245 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
NPC1 O15118 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 3/20 0.37
NOTUM Q6P988 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL13340367 0.89 LMNA (0.43) CYP2C19HTR1AHTR1BHTR2AHTR2C
SCHEMBL3492045 0.83 ALDH1A1 (0.41) CNR2CNR1NPC1NPSR1ALDH1A1
SCHEMBL3491406 0.81 RIPK1 (0.37) CNR2NPC1ALDH1A1NOTUMMAPT
SCHEMBL3492063 0.81 ALDH1A1 (0.41) CNR2CNR1NPC1ALDH1A1NOTUM
SCHEMBL3491924 0.81 ALDH1A1 (0.41) CNR2CNR1NPC1NPSR1ALDH1A1
SCHEMBL3493665 0.79 BCL2 (0.38) CNR2CNR1CYP2C19NPC1ALDH1A1
SCHEMBL3493841 0.79 ALDH1A1 (0.39) CNR2CNR1NPC1ALDH1A1NOTUM
SCHEMBL3495346 0.79 SMN1; SMN2 (0.41) CNR2CNR1NPC1ALDH1A1NOTUM
SCHEMBL3494146 0.78 CNR2 (0.38) CNR2CNR1NPC1NPSR1ALDH1A1
SCHEMBL3495460 0.78 CA1 (0.40) NPC1ALDH1A1NOTUMMAPTRAB9A

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 1 patent. 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

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 CNR2 375/4885CNR1 388/4885CYP3A4 1555/4885

“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.