SCHEMBL8089040

SCHEMBL8089040

N#CCc1ccc2c(c1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
PRKCI P41743 1/20 0.44
KCNH2 Q12809 4/20 0.41
ATM Q13315 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL4133761 0.90 CTNNB1 (0.43) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL17030555 0.90 CTNNB1 (0.40) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL3642604 0.86 CHRM2 (0.47) KCNH2
SCHEMBL9382838 0.83 MEN1 (0.46) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL28880617 0.83 RAB9A (0.47) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL1464785 0.80 CD274 (0.50) RAB9A
SCHEMBL1346477 0.78 MAOB (0.47) RAB9AMAOAMAOBNPC1
SCHEMBL11297162 0.77 ACACB (0.45) RAB9AKDM1AMAOAMAOBNPC1
SCHEMBL1721517 0.77 SLC5A2 (0.38) KCNH2
SCHEMBL4133763 0.77 KCNH2 (0.46) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794183-B1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 2000-06-14 EP claimed
US-5693831-A (2,3-dihydro-5-benzofuranyl)-acetonitrile BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US claimed
EP-0794183-A1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 1997-09-10 EP claimed
JP-9241250-A None JP disclosed
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 US disclosed
EP-0794183-B1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 2000-06-14 EP disclosed
EP-0794183-B1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 2000-06-14 EP disclosed
US-5693831-A (2,3-dihydro-5-benzofuranyl)-acetonitrile BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5693831-A (2,3-dihydro-5-benzofuranyl)-acetonitrile BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
US-5693831-A (2,3-dihydro-5-benzofuranyl)-acetonitrile BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
JP-H09241250-A (2,3-DIHYDRO-5-BENZOFURANYL)ACETONITRILE BAYER AG 1997-09-16 JP disclosed
EP-0794183-A1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 1997-09-10 EP disclosed
EP-0794183-A1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 1997-09-10 EP disclosed
EP-0794183-A1 (2,3-Dihydro-5-benzofuranyl)-acetonitrile BAYER AG (DE) 1997-09-10 EP 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-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 RAB9A 877/4885KDM1A 4740/4885MAOA 4744/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 RAB9A 877/4885KDM1A 4740/4885MAOA 4744/4885

“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.