SCHEMBL6715035

SCHEMBL6715035

C[C@](N)(Cc1ccc2c(c1)CCN2C(=N)N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ BLM P54132 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ MTOR P42345 1/20 0.48

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
SCHEMBL6809819 0.82 LMNA (0.47) MAPTGAAPOLBLMNATP53
SCHEMBL11327846 0.69 MAPT (0.54) MAPTALDH1A1GAABLMCYP1A2
SCHEMBL14478274 0.69 CYP3A4 (0.54) MAPTALDH1A1GAABLMCYP1A2
SCHEMBL11322445 0.69 MAPT (0.54) MAPTALDH1A1GAABLMCYP1A2
SCHEMBL25000183 0.67 S1PR1 (0.41) MAPTALDH1A1GAACYP1A2CYP3A4
SCHEMBL19689777 0.67 DHODH (0.57) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL29982408 0.67 CYP1A2 (0.62) MAPTALDH1A1GAABLMCYP1A2
SCHEMBL8939501 0.67 CYP1A2 (0.62) MAPTALDH1A1GAABLMCYP1A2
SCHEMBL10716438 0.66 NOTUM (0.61) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL6626362 0.66 TP53 (0.46) MAPTALDH1A1GAAALOX15KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 — — US claimed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 — — US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 — — US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 — — 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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH MAPT 1920/4885ALDH1A1 114/4885GAA 111/4885

“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.

Send feedback