SCHEMBL13375723

SCHEMBL13375723

O=CN[C@@H](Cc1ccncc1)C(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.44
▸ FPR2 P25090 7/20 0.43
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ NAMPT P43490 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ FPR1 P21462 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10305175 1.00 CHRM1 (0.44) CHRM1FPR2MMP1MMP3NAMPT
SCHEMBL5552607 0.82 FPR2 (0.52) CHRM1FPR2MMP1MMP3TSHR
SCHEMBL4214360 0.82 FPR2 (0.52) CHRM1FPR2MMP1MMP3TSHR
SCHEMBL4205338 0.82 FPR2 (0.52) CHRM1FPR2MMP1MMP3TSHR
Hydrochloric Acid SCHEMBL4725522 0.81 FPR2 (0.51) CHRM1FPR2MMP1MMP3KDM4E
SCHEMBL890153 0.77 CYP3A4 (0.41) TSHRKMT2A
SCHEMBL10305158 0.76 HRH2 (0.46) CHRM1FPR2MMP1MMP3HPGD
SCHEMBL10180336 0.76 AKT1 (0.54) CHRM1DPP4
SCHEMBL4213020 0.76 AKT1 (0.54) CHRM1DPP4
SCHEMBL4213022 0.76 AKT1 (0.54) CHRM1DPP4

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-8288556-B2 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2012-10-16 — — US disclosed
US-20090036436-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. 2009-02-05 — — 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-20090036436-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY OPRL1, HCAR2, OPRM1 CHRM1 229/4885FPR2 79/4885MMP1 2721/4885

“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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