SCHEMBL3494815

SCHEMBL3494815

Cc1c(Cc2ccccc2)c(C(=O)O)c(-c2ccccc2)n1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
MAPT P10636 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
MAOB P27338 1/20 0.44
GRM5 P41594 1/20 0.43
PTGER1 P34995 2/20 0.43
NOTUM Q6P988 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SRD5A2 P31213 1/20 0.42
ALKBH1 Q13686 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
P2RY14 Q15391 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL3495803 0.86 MRGPRX4 (0.46) NR4A2MAPTMRGPRX4MAOBGRM5
SCHEMBL3494813 0.73 NOTUM (0.48) NR4A2MAPTMRGPRX4MAOBGRM5
SCHEMBL3493113 0.73 NOTUM (0.53) NR4A2MAPTMRGPRX4MAOBGRM5
SCHEMBL3493854 0.72 DCTPP1 (0.46) MAPTNOTUMMEN1KMT2AKDM4E
SCHEMBL3493945 0.72 PTGER1 (0.42) MAPTMRGPRX4PTGER1ALKBH1PTGER4
SCHEMBL3386778 0.71 KDM4E (0.73) MAPTMEN1KMT2ASRD5A2KDM4E
SCHEMBL3494269 0.69 POLB (0.60) NR4A2MAPTMRGPRX4MAOBGRM5
SCHEMBL4450809 0.68 NR4A2 (0.58) NR4A2MRGPRX4MAOBMEN1KMT2A
SCHEMBL3495799 0.67 JAK2 (0.55) MAPTMRGPRX4MAOBNOTUMMEN1
SCHEMBL6087956 0.67 PTGER4 (0.55) NR4A2MRGPRX4MAOBPTGER4

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 NR4A2 1564/4885MAPT 4821/4885MRGPRX4 297/4885

“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.