SCHEMBL4037463

SCHEMBL4037463

O=C1c2ccccc2CCn2cccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.54
CES1 P23141 2/20 0.52
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAOA P21397 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MIF P14174 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 1/20 0.40
BCAT2 O15382 1/20 0.39
MAOB P27338 2/20 0.39

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
SCHEMBL31105207 0.85 KDM4E (0.51) ACHECES1NPC1MAPTPKM
SCHEMBL1158963 0.85 KDM4E (0.51) ACHECES1NPC1MAPTPKM
SCHEMBL11648743 0.80 ACHE (0.51) ACHEHDAC6
SCHEMBL11616787 0.80 ACHE (0.51) ACHECES1NPC1MAPTPKM
SCHEMBL11615476 0.80 ACHE (0.51) ACHEHDAC6
SCHEMBL11620399 0.80 ACHE (0.51) ACHENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11653727 0.80 TDP1 (0.53) ACHEMAOATDP1L3MBTL1MAOB
SCHEMBL11617563 0.77 ACHE (0.49) ACHENPC1MAPTPKMRAB9A
SCHEMBL11617884 0.76 ACHE (0.48) ACHEHDAC6
SCHEMBL11617333 0.76 ACHE (0.48) ACHEHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP claimed
US-4075225-A Pyrrolo[2,1-b][3]benzazepines MERCK & CO., INC. (US) 1978-02-21 US claimed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
EP-0000716-B1 PYRROLO(2,1-B)(3)BENZAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-03-09 EP disclosed
US-4148903-A Antipsychotic, antiserotonin and antihistaminic pyrrolo[2,1-b][3]benzazepines MERCK & CO., INC. (US) 1979-04-10 US disclosed
EP-0000716-A2 Pyrrolo(2,1-b)(3)benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1979-02-21 EP disclosed
US-4112112-A Pyrrolo[2,1-b] [3]benzazepines useful for producing a skeletal muscle relaxing or tranquilizing effect MERCK & CO., INC. (US) 1978-09-05 US disclosed
US-4075225-A Pyrrolo[2,1-b][3]benzazepines MERCK & CO., INC. (US) 1978-02-21 US disclosed
US-4075225-A Pyrrolo[2,1-b][3]benzazepines MERCK & CO., INC. (US) 1978-02-21 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ACHE 4783/4885CES1 439/4885NPC1 245/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 ACHE 4764/4885CES1 435/4885NPC1 234/4885

“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.