SCHEMBL3495803

SCHEMBL3495803

CCc1c(C(=O)O)c(-c2cccc(OCc3ccccc3)c2)n(-c2ccccc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.46
NR4A2 P43354 2/20 0.45
MAOB P27338 1/20 0.44
MAPT P10636 2/20 0.43
PTGER4 P35408 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GRM5 P41594 1/20 0.42
TSHR P16473 1/20 0.42
DHODH Q02127 1/20 0.42
NOTUM Q6P988 1/20 0.42
SRD5A2 P31213 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALKBH1 Q13686 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
SCHEMBL3494815 0.86 NR4A2 (0.46) MRGPRX4NR4A2MAOBMAPTPTGER4
SCHEMBL3491847 0.81 NOTUM (0.51) MAPTSMN1; SMN2NOTUMALDH1A1NPSR1
SCHEMBL3493113 0.78 NOTUM (0.53) MRGPRX4NR4A2MAOBMAPTPTGER4
SCHEMBL3493945 0.78 PTGER1 (0.42) MRGPRX4MAPTPTGER4ALKBH1
SCHEMBL3493854 0.76 DCTPP1 (0.46) MAPTSMN1; SMN2TSHRNOTUMALDH1A1
SCHEMBL3495799 0.75 JAK2 (0.55) MRGPRX4MAOBMAPTJAK2JAK3
SCHEMBL3386778 0.72 KDM4E (0.73) MAPTSMN1; SMN2SRD5A2ALDH1A1NPSR1
SCHEMBL4089863 0.70 PTGER4 (0.59) MRGPRX4NR4A2MAOBPTGER4
SCHEMBL4638788 0.70 MRGPRX4 (0.51) MRGPRX4NR4A2MAOBPTGER4JAK2
SCHEMBL3494813 0.68 NOTUM (0.48) MRGPRX4NR4A2MAOBMAPTJAK2

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 MRGPRX4 297/4885NR4A2 1564/4885MAOB 49/4885

“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.