SCHEMBL3494813

SCHEMBL3494813

Cc1cc(C(=O)OCc2ccccc2)c(-c2ccccc2)n1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
MAPT P10636 2/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
HTT P42858 2/20 0.45
MAOB P27338 2/20 0.45
HPGD P15428 1/20 0.45
NR4A2 P43354 2/20 0.44
SMPD1 P17405 2/20 0.44
GRM5 P41594 1/20 0.44
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER1 P34995 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL3495799 0.89 JAK2 (0.55) NOTUMMAPTJAK2JAK3SMN1; SMN2
SCHEMBL3493113 0.84 NOTUM (0.53) NOTUMMAPTJAK2JAK3SMN1; SMN2
SCHEMBL3491845 0.81 NOTUM (0.57) NOTUMMAPTSMN1; SMN2LMNAHPGD
SCHEMBL7166777 0.79 ALDH1A1 (0.59) NOTUMMAPTSMN1; SMN2LMNATSHR
SCHEMBL7165573 0.78 NOTUM (0.53) NOTUMMAPTSMN1; SMN2LMNATSHR
SCHEMBL3493942 0.78 TSHR (0.47) JAK2JAK3SMN1; SMN2LMNATSHR
SCHEMBL7168695 0.77 ALDH1A1 (0.58) MAPTSMN1; SMN2LMNAHPGDMEN1
SCHEMBL7171864 0.77 GABRA2 (0.55) NOTUMMAPTSMN1; SMN2LMNATSHR
SCHEMBL7166626 0.76 ALDH1A1 (0.51) NOTUMMAPTSMN1; SMN2LMNATSHR
SCHEMBL7166760 0.76 NOTUM (0.55) NOTUMMAPTSMN1; SMN2LMNATSHR

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 6 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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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 NOTUM 1289/4885MAPT 4821/4885JAK2 922/4885

“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.