SCHEMBL467259

SCHEMBL467259

[c]1c(N2CCCCC2)ccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37
KEAP1 Q14145 1/20 0.36
AR P10275 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL4722032 0.98 KDM4E (0.38) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL4723274 0.84 HRH3 (0.38) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL5829529 0.84 CHRNB2 (0.45) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL4723251 0.82 HRH3 (0.39) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL4318925 0.82 HTR3A (0.49) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL4719079 0.82 AR (0.40) ALDH1A1MAPTARSMN1; SMN2L3MBTL1
SCHEMBL4723299 0.82 LMNA (0.44) KDM4EMAPTTDP1ARTP53
SCHEMBL4720688 0.76 HTR3A (0.42) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL21313021 0.73 HPGD (0.41) MAPK1HSD17B10KDM4ETSHRALDH1A1
SCHEMBL4719880 0.73 HTR3E (0.33) MAPK1HSD17B10KDM4EALDH1A1TDP1

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116703-A1 8-Azabicyclo[3.2.1]oct-2-ene and -octane derivatives technical field NEUROSEARCH A/S 2004-06-17 US claimed
EP-1133494-B1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH AS (DK) 2004-02-18 EP claimed
US-6680328-B2 CHOLINERGIC LIGANDS OF NICOTINIC ACETYL CHOLINE RECEPTORS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, SMOOTH MUSCLE CONTRACTION DISORDERS, ENDOCRINE DISEASES/DISORDERS, NEURODEGENERATION, INFLAMMATION, PAIN, AND DRUG WITHDRAWAL NEUROSEARCH A/S (DK) 2004-01-20 US claimed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US claimed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US claimed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP claimed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 WO claimed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
EP-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
US-8071611-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-12-06 US disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 US disclosed
US-7906646-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-03-15 US disclosed
WO-2003099844-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-04 WO disclosed
WO-2003097593-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-11-27 WO disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives ANIONA APS (DK) 2002-03-21 US disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO disclosed
EP-1133494-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2001-09-19 EP disclosed
WO-2000032600-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE AND -OCTANE DERIVATIVES NEUROSEARCH A/S (DK) 2000-06-08 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 (3 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-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 MAPK1 2973/4885HSD17B10 1034/4885KDM4E 4218/4885
US-20020035122-A1 8-azabicyclo[3.2.1]oct-2-ene and -octane derivatives CHRNA2, CHRNA7, CHRNA10 MAPK1 1026/4885HSD17B10 1494/4885KDM4E 631/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 MAPK1 2973/4885HSD17B10 1034/4885KDM4E 4218/4885

“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.