SCHEMBL6846165

SCHEMBL6846165

C=CCN1CC[C@@H]2CCC=CC2=C(N)C1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CYP19A1 P11511 1/20 0.32
KDM4E B2RXH2 1/20 0.31
BRD4 O60885 1/20 0.30
BRDT Q58F21 1/20 0.30

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
SCHEMBL7031082 1.00 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6309258 0.79 PIK3CD (0.40) CYP19A1
SCHEMBL7537691 0.79 PIK3CD (0.40) CYP19A1
SCHEMBL6369317 0.75 KMT2A (0.30)
SCHEMBL6301634 0.75 KMT2A (0.30)
SCHEMBL8958844 0.63 CYP3A4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7031086 0.63 CYP19A1 (0.32) CYP19A1
SCHEMBL6846167 0.63 CYP19A1 (0.32) CYP19A1
SCHEMBL9558633 0.62 PRCP (0.31) KDM4E
SCHEMBL1682219 0.60 CYP3A4 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248878-A1 Lactam compound KOENIG THOMAS MITCHELL (US) 2004-12-09 US disclosed
US-20040077627-A1 Lactam compound KOENIG THOMAS MITCHELL (US) 2004-04-22 US disclosed
EP-1353910-A2 LACTAM COMPOUND ELI LILLY AND COMPANY (US) 2003-10-22 EP disclosed
EP-1345955-A2 LACTAM DIPEPTIDE AND ITS USE IN INHIBITING BETA-AMYLOID PEPTIDE RELEASE ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002040451-A2 LACTAM COMPOUND ELI LILLY AND COMPANY (US) 2002-05-23 WO disclosed
WO-2002040508-A2 LACTAM DIPEPTIDE AND ITS USE IN INHIBITING BETA-AMYLOID PEPTIDE RELEASE ELI LILLY AND COMPANY (US) 2002-05-23 WO 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 (2 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-20040077627-A1 Lactam compound AAAS, BCHE, CHLSN HDAC3 399/4885HDAC4 411/4885HDAC1 371/4885
US-20040248878-A1 Lactam compound AAAS, CHLSN, APH1B HDAC3 400/4885HDAC4 612/4885HDAC1 180/4885

“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.