SCHEMBL30054873

SCHEMBL30054873

CCO[C@@H]1C[C@H](C=O)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.45
ELANE P08246 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTR2C P28335 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
SCHEMBL16403228 1.00 HCRTR2 (0.45) HCRTR2ELANENPC1RAB9ASMN1; SMN2
SCHEMBL18569885 1.00 HCRTR2 (0.45) HCRTR2ELANENPC1RAB9ASMN1; SMN2
SCHEMBL18569448 0.91 ELANE (0.50) HCRTR2ELANENPC1RAB9ASMN1; SMN2
SCHEMBL16402963 0.91 ELANE (0.50) HCRTR2ELANENPC1RAB9ASMN1; SMN2
SCHEMBL7491781 0.88 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL116053 0.85 ALDH1A1 (0.46) HCRTR2
SCHEMBL3398953 0.85 ALDH1A1 (0.46) HCRTR2
SCHEMBL6941068 0.84 AGTR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
SCHEMBL5765292 0.84 AGTR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1
SCHEMBL20446568 0.84 AGTR2 (0.47) NPC1RAB9ASMN1; SMN2TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2025-05-29 US disclosed
US-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2025-03-04 US disclosed
CN-115551832-A Potent human neuronal nitric oxide synthase inhibitors 西北大学 2022-12-30 CN 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 (2 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-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 HCRTR2 369/4885ELANE 1183/4885NPC1 1520/4885
US-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 HCRTR2 369/4885ELANE 1183/4885NPC1 1520/4885

“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.