SCHEMBL1748257

SCHEMBL1748257

COc1cc2c(cc1OC)C(N)CCC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAOA P21397 3/20 0.47
TSHR P16473 1/20 0.47
ABCB1 P08183 1/20 0.45
ACHE P22303 1/20 0.43
CA7 P43166 1/20 0.43
RAD52 P43351 1/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.42
KCNN1 Q92952 1/20 0.42
KCNN2 Q9H2S1 1/20 0.42
KCNN3 Q9UGI6 1/20 0.42

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
SCHEMBL28046681 0.89 CA1 (0.54) CHRNA7CA1CA2MAOATSHR
SCHEMBL355553 0.89 CA1 (0.54) CHRNA7CA1CA2MAOATSHR
Hydrochloric Acid SCHEMBL17910635 0.87 CA1 (0.53) CHRNA7CA1CA2MAOATSHR
SCHEMBL7105876 0.87 DRD5 (0.46) CHRNA7CA1CA2ACHE
SCHEMBL8011020 0.87 DRD5 (0.46) CHRNA7CA1CA2ACHE
Hydrochloric Acid SCHEMBL8074492 0.85 DRD5 (0.48) CHRNA7MAOAACHE
SCHEMBL1589813 0.79 CHRNA7 (0.48) CHRNA7CA1CA2MAOATSHR
SCHEMBL7929913 0.77 CYP3A4 (0.48) CA1CA2MAOATSHRACHE
SCHEMBL8276942 0.77 CYP3A4 (0.48) CA1CA2MAOATSHRACHE
SCHEMBL7936406 0.77 CYP3A4 (0.48) CA1CA2MAOATSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0493346-B1 Derivatives of 1,2,3,4-tetrahydronaphtylamine endowed with nootropic activity and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1995-06-14 EP claimed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 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 (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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B CHRNA7 463/4885CA1 4885/4885CA2 4851/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B CHRNA7 463/4885CA1 4885/4885CA2 4851/4885
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 CHRNA7 592/4885CA1 1428/4885CA2 202/4885

“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.