SCHEMBL9928306

SCHEMBL9928306

CCC1(C)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.59
CHRM2 P08172 2/20 0.55
CHRM3 P20309 2/20 0.55
HPGD P15428 1/20 0.54
ACHE P22303 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 3/20 0.50
RIPK1 Q13546 1/20 0.50
TP53 P04637 1/20 0.50
CCR5 P51681 1/20 0.50
USP2 O75604 1/20 0.49
VNN1 O95497 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL18070856 0.85 BLM (0.61) BLMCHRM2CHRM3HPGDACHE
SCHEMBL14427028 0.84 BLM (0.59) BLMCHRM2CHRM3HPGDACHE
SCHEMBL9928310 0.83 BLM (0.51) BLMCHRM2CHRM3HPGDACHE
SCHEMBL9928309 0.83 HPGD (0.61) BLMCHRM2CHRM3HPGDACHE
SCHEMBL18155544 0.83 MGLL (0.48) HPGDALDH1A1TP53USP2VNN1
SCHEMBL28883790 0.82 ALDH1A1 (0.52) BLMCHRM2CHRM3HPGDACHE
SCHEMBL8503467 0.80 HPGD (0.58) BLMCHRM2CHRM3HPGDACHE
SCHEMBL17151131 0.80 HPGD (0.58) BLMCHRM2CHRM3HPGDACHE
SCHEMBL21078027 0.80 MEN1 (0.47) HPGDALDH1A1VNN1LMNA
SCHEMBL4818087 0.78 CRBN (0.56) BLMCHRM2CHRM3HPGDACHE

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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
EP-2278973-B1 GEM-DISUBSTITUTED AND SPIROCYCLIC AMINO PYRIDINES/PYRIMIDINES AS CELL CYCLE INHIBITORS AMGEN INC (US) 2011-11-02 EP 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-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 BLM 4374/4885CHRM2 1979/4885CHRM3 2827/4885

“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.