SCHEMBL21531205

SCHEMBL21531205

NC1CCN(C(=O)CNC(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.52
▸ MAOA P21397 3/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CACNA1B Q00975 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 2/20 0.33
▸ PPIB P23284 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL20399024 1.00 KDM1A (0.52) KDM1AMAOASMN1; SMN2LMNACACNA1B
SCHEMBL1131712 0.84 DPP4 (0.40) KDM1AMAOASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL27149878 0.82 GNAI3 (0.44) KDM1AMAOACACNA1BGNAI3GNAO1
Hydrochloric Acid SCHEMBL27149879 0.82 GNAI3 (0.44) KDM1AMAOACACNA1BGNAI3GNAO1
SCHEMBL12765271 0.81 KDM1A (0.50) KDM1AMAOASMN1; SMN2LMNACACNA1B
SCHEMBL12765231 0.81 KDM1A (0.50) KDM1AMAOASMN1; SMN2LMNACACNA1B
SCHEMBL25266002 0.81 DPP4 (0.40) KDM1AMAOASMN1; SMN2LMNAALDH1A1
SCHEMBL25202270 0.81 DPP4 (0.40) KDM1AMAOASMN1; SMN2LMNAALDH1A1
SCHEMBL16060949 0.78 SMN1; SMN2 (0.35) KDM1AMAOASMN1; SMN2LMNAALDH1A1
SCHEMBL16060951 0.78 SMN1; SMN2 (0.35) KDM1AMAOASMN1; SMN2LMNAALDH1A1

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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 — — US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 — — 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 (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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 KDM1A 4648/4885MAOA 4813/4885SMN1; SMN2 4407/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 KDM1A 4713/4885MAOA 4818/4885SMN1; SMN2 4272/4885

“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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