SCHEMBL4042902

SCHEMBL4042902

CC(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.37
SMYD3 Q9H7B4 2/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NAMPT P43490 2/20 0.34
FKBP1A P62942 1/20 0.34

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
SCHEMBL4045590 0.92 SMYD3 (0.36) RENSMYD3LMNAALDH1A1MAPT
SCHEMBL4038831 0.92 CHRM1 (0.39) RENSMYD3FKBP1A
SCHEMBL4043749 0.91 SMYD3 (0.35) SMYD3ALDH1A1FKBP1A
SCHEMBL4039254 0.91 KDM4E (0.38) LMNAALDH1A1FKBP1A
SCHEMBL4045536 0.89 CTSS (0.41) REN
SCHEMBL4042418 0.89 ALDH1A1 (0.42) LMNAALDH1A1FKBP1A
SCHEMBL4044663 0.89 HSD17B10 (0.37) RENSMYD3LMNAALDH1A1HPGD
SCHEMBL4039288 0.88 FKBP1A (0.35) SMYD3FKBP1A
SCHEMBL4038283 0.87 ALDH1A1 (0.38) RENLMNAALDH1A1
SCHEMBL4039911 0.86 FKBP1A (0.34) SMYD3FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS REN 1289/4885SMYD3 4011/4885LMNA 3686/4885

“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.