SCHEMBL12877336

SCHEMBL12877336

O=C(N1CCCCCC1)C1(O)CCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.50
FASN P49327 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2019178 0.95 MEN1 (0.52) HSD11B1FASNMEN1KMT2ASMN1; SMN2
SCHEMBL31239745 0.90 HSD11B1 (0.45) HSD11B1FASNMEN1KMT2ASMN1; SMN2
SCHEMBL3401333 0.83 FASN (0.50) HSD11B1FASNMEN1KMT2ASMN1; SMN2
SCHEMBL19185241 0.80 SMN1; SMN2 (0.50) FASNMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1158843 0.80 HSD11B1 (0.47) HSD11B1FASNL3MBTL1
SCHEMBL5489277 0.79
SCHEMBL22563174 0.79 FASN (0.43) HSD11B1FASNMEN1KMT2ASMN1; SMN2
Bicarbonate SCHEMBL9497728 0.76 CA2 (0.47) HSD11B1FASNMEN1KMT2ASMN1; SMN2
SCHEMBL8393764 0.74 HSD11B1 (0.53) HSD11B1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL13321320 0.74 HSD11B1 (0.42) HSD11B1MEN1KMT2ASMN1; SMN2L3MBTL1

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-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 HSD11B1 697/4885FASN 4020/4885MEN1 2202/4885

“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.