SCHEMBL7670282

SCHEMBL7670282

CCOC(=O)c1ccc(CCCC(C)(C)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CYP4A11 Q02928 3/20 0.46
CYP4F2 P78329 2/20 0.46
STS P08842 1/20 0.46
HTT P42858 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45

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
SCHEMBL8879486 0.91 LMNA (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL13153523 0.88 CA12 (0.53) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL7677340 0.83 CYP4F2 (0.69) CYP1A2CA2SMN1; SMN2CYP4A11CYP4F2
SCHEMBL20715467 0.81 LMNA (0.64) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL28280215 0.81 LMNA (0.59) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL16664042 0.81 CA12 (0.56) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL570747 0.81 ESR1 (0.59) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL12199135 0.81 CA1 (0.68) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL9798900 0.80 LMNA (0.57) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL570964 0.80 RARB (0.58) LMNACYP1A2CYP3A4MAOACA1

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-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 EP claimed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 EP claimed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 WO claimed
US-20020052509-A1 Calcilytic compounds and method of use SMITHKLINE BEECHAM CORPORATION 2002-05-02 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-20020052509-A1 Calcilytic compounds and method of use SOST, CALCR, PTH1R LMNA 1520/4885CYP1A2 2313/4885CYP3A4 3014/4885

“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.