SCHEMBL29388277

SCHEMBL29388277

CN[C@@H](CCCN=C(N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.58
▸ NOS2 P35228 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ CPN1 P15169 1/20 0.53
▸ CPB2 Q96IY4 1/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM4 P08173 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ SLC6A5 Q9Y345 1/20 0.51
▸ C3AR1 Q16581 9/20 0.50
▸ CA2 P00918 2/20 0.49
▸ NQO1 P15559 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL3039364 1.00 CYP2C19 (0.58) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL29521677 0.84 CHRM2 (0.68) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL16748402 0.84 CHRM2 (0.68) CYP2C19NOS2CYP1A2GLATSHR
Water SCHEMBL30600465 0.83 CHRM2 (0.66) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL25260960 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL30151413 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL25336897 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL1736049 0.81 CYP2C19 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL29436143 0.80 SLC6A5 (0.53) CYP2C19NOS2CYP1A2GLATSHR
SCHEMBL31110360 0.78 C3AR1 (0.60) CYP2C19NOS2CYP1A2GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382344-A1 Soluble GLP1/GIP/NPY2 Receptor Triple Agonists BOEHRINGER INGELHEIM INT GMH (DE) 2025-12-18 — — US disclosed
WO-2022035049-A1 NOVEL METHOD FOR PREPARING ANIMAL MODEL OF CEREBROVASCULAR DISEASE AND METHOD FOR PRODUCING ANIMAL HAVING SMALL INDIVIDUAL DIFFERENCE IN SUSCEPTIBILITY TO CEREBROVASCULAR DISEASE ONSET BY USING ANIMAL MODEL FOR CEREBROVASCULAR DISEASE PREPARED THEREBY 동국대학교 산학협력단 2022-02-17 — — 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-20250382344-A1 Soluble GLP1/GIP/NPY2 Receptor Triple Agonists GLP1R, GIPR, NPY1R CYP2C19 2753/4885NOS2 405/4885CYP1A2 2000/4885

“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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