SCHEMBL4128465

SCHEMBL4128465

CC(C)(C)N(C(=O)O)C1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ UBE2M P61081 1/20 0.54
▸ DCUN1D1 Q96GG9 1/20 0.54
▸ MCHR1 Q99705 2/20 0.53
▸ TSHR P16473 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL2796219 0.93 UBE2M (0.54) SIGMAR1KMT2AMEN1LMNAUBE2M
SCHEMBL4125301 0.80 ACHE (0.57) SIGMAR1KMT2AMEN1MCHR1POLB
SCHEMBL1306000 0.80 OPRM1 (0.61) SIGMAR1
SCHEMBL5672524 0.79 SIGMAR1 (0.50) SIGMAR1LMNAUBE2MDCUN1D1KDM4E
SCHEMBL1921490 0.77 SIGMAR1 (0.56) SIGMAR1KMT2AMEN1UBE2MDCUN1D1
SCHEMBL10893210 0.77 CHRM2 (0.56) SIGMAR1KMT2AMEN1
SCHEMBL1062230 0.75 OPRM1 (0.56) SIGMAR1ALDH1A1KDM4E
SCHEMBL4125164 0.75 SIGMAR1 (0.77) SIGMAR1KMT2AMEN1MCHR1SMN1; SMN2
SCHEMBL16472966 0.75 TSHR (0.62) SIGMAR1KMT2AMEN1MCHR1TSHR
Trifluoroacetic Acid SCHEMBL1920549 0.75 SIGMAR1 (0.57) SIGMAR1KMT2AMEN1LMNAMCHR1

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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 — — 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR SIGMAR1 334/4885KMT2A 1253/4885MEN1 2129/4885

“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.

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