SCHEMBL22627747

SCHEMBL22627747

C=C(CCNC(=O)c1cc(CCO)ccn1)NC(=O)COc1ccc(C)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.54
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22628186 0.94 RXFP1 (0.54) RXFP1MEN1KMT2AHPGDMAPT
SCHEMBL22627924 0.92 RXFP1 (0.53) RXFP1MEN1KMT2AHPGDMAPT
SCHEMBL22628204 0.90 RXFP1 (0.52) RXFP1MEN1KMT2AHPGDMAPT
SCHEMBL22627631 0.87 MEN1 (0.54) RXFP1MEN1KMT2AHPGDMAPT
SCHEMBL22627744 0.87 ALDH1A1 (0.41) RXFP1MEN1KMT2AALDH1A1
SCHEMBL22956242 0.84 ATF4 (0.41) RXFP1MEN1KMT2AALDH1A1
SCHEMBL22628214 0.84 MEN1 (0.52) RXFP1MEN1KMT2AHPGDMAPT
SCHEMBL22956344 0.82 RXFP1 (0.58) RXFP1MEN1KMT2AHPGDMAPT
SCHEMBL22628316 0.82 RXFP1 (0.52) RXFP1MEN1KMT2AHPGDMAPT
SCHEMBL20999332 0.81 HPGD (0.64) RXFP1MEN1KMT2AHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 — — 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-20200345727-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 RXFP1 2368/4885MEN1 4714/4885KMT2A 4320/4885

“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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