SCHEMBL3494751

SCHEMBL3494751

O=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nn1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PTGIR P43119 1/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL3494459 0.85 AOC2 (0.41) ALDH1A1MEN1KMT2APTGIRGAA
SCHEMBL3492508 0.83 F2RL3 (0.61) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL7778202 0.82 PTGS2 (0.60) MEN1KMT2ASMN1; SMN2
SCHEMBL7777766 0.82 HTR7 (0.48) HTR1AHTR2AHTR7
SCHEMBL7778046 0.82 PTGS2 (0.52) HTR1AHTR2AHTR7
SCHEMBL8235877 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL7773087 0.81 PTGS2 (0.48) KMT2ALMNACYP3A4CYP2C9PDE4A
SCHEMBL8890615 0.78 HTT (0.51) ALDH1A1MEN1KMT2ANPSR1CYP1A2
SCHEMBL3493199 0.72 POLB (0.52) ALDH1A1MEN1KMT2APOLBNPSR1
SCHEMBL7773163 0.72 PTGS2 (0.58)

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 5 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

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 ALDH1A1 1062/4885MEN1 750/4885KMT2A 952/4885

“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.