SCHEMBL4812855

SCHEMBL4812855

CCC(C)NC(C=O)Cc1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CTSB P07858 7/20 0.33
CTSK P43235 5/20 0.33
CTSL P07711 3/20 0.33
CTSH P09668 2/20 0.33
SIGMAR1 Q99720 1/20 0.31
CAPN1 P07384 2/20 0.31

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
SCHEMBL25309449 0.72 TRPA1 (0.35) TAAR1SIGMAR1
SCHEMBL1071752 0.72 TRPA1 (0.35) TAAR1SIGMAR1
SCHEMBL6642411 0.71 SIGMAR1 (0.44) SIGMAR1
SCHEMBL4820796 0.70
SCHEMBL128086 0.69 TAAR1 (0.35) TAAR1SIGMAR1
SCHEMBL3776672 0.69 EPHX1 (0.32) TAAR1SIGMAR1
SCHEMBL9330630 0.68 TAAR1 (0.34) TAAR1SIGMAR1
SCHEMBL27932397 0.68 TAAR1 (0.34) TAAR1SIGMAR1
SCHEMBL12873856 0.67 ACE (0.56) ACEMEN1KMT2ATAAR1CTSB
SCHEMBL10044549 0.67 ACE (0.56) ACEMEN1KMT2ATAAR1CTSB

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
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US claimed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US claimed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 ACE 2513/4885MEN1 120/4885KMT2A 3699/4885

“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.