SCHEMBL10241640

SCHEMBL10241640

CCN1CCN(CC2CCCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.67
ADRA2C P18825 1/20 0.67
ACHE P22303 1/20 0.63
HSD11B1 P28845 2/20 0.51
OPRM1 P35372 2/20 0.49
OPRL1 P41146 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
OPRK1 P41145 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL12950312 0.98 CHRM5 (0.62) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL27423846 0.93 CHRM5 (0.56) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL3477990 0.88 CHRM5 (0.48) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL5376134 0.88 CHRM5 (0.84) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL11596303 0.88 CHRM5 (0.84) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL26480974 0.86 ACHE (0.50) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL22520700 0.86 ACHE (0.50) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL21085341 0.84 CHRM5 (0.52) CHRM5ADRA2CACHEHSD11B1OPRM1
SCHEMBL24723958 0.83 CHRM5 (0.61) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL11919255 0.82 CHRM5 (0.54) CHRM5ADRA2CACHEHSD11B1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed
US-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-10-26 US disclosed
US-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-10-26 US disclosed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
WO-2011117381-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 WO disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
WO-2008106619-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-04 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (6 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-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS EPX, EGLN3, NISCH CHRM5 1573/4885ADRA2C 1167/4885ACHE 64/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS CHRM5 1546/4885ADRA2C 315/4885ACHE 1151/4885
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD CHRM5 4882/4885ADRA2C 4751/4885ACHE 4874/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CHRM5 1546/4885ADRA2C 315/4885ACHE 1151/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS CHRM5 1546/4885ADRA2C 315/4885ACHE 1151/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS CHRM5 1546/4885ADRA2C 315/4885ACHE 1151/4885

“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.