SCHEMBL971031

SCHEMBL971031

OC1(c2cccc(Br)c2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36

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
SCHEMBL15823214 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL7136098 0.98 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL7144286 0.94 CHRNA1 (0.42) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL23232243 0.90 CHRNA1 (0.44) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL30820875 0.90 CHRNA1 (0.44) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL25516007 0.86 CHRNA1 (0.40) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL6041772 0.81 DRD2 (0.49) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL932071 0.81 CHRNA1 (0.42) SMN1; SMN2ALDH1A1GAANPSR1CHRNA1
SCHEMBL3946783 0.78 OPRM1 (0.47) ALDH1A1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL1154800 0.77 SLC6A4 (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
EP-0964849-B1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER (US) 2003-06-04 EP disclosed
EP-1270565-A1 4-Substituted furan-2-sulfonamide and its use in the preparation of sulfonyl urea derivatives PFIZER INC. (US) 2003-01-02 EP disclosed
EP-1270554-A1 Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC. (US) 2003-01-02 EP disclosed
US-6433009-B1 TREATMENT OF AUTOIMMUNE, CARDIOVASCULAR, NERVOUS SYSTEM, GASTROINTESTINAL, RESPIRATORY SYSTEM, AND VIRAL DISORDERS; ANTIDIABETIC, ANTIARTHRITIC, ANTIINFLAMMATORY AND ANTIDEPRESSANT AGENTS PFIZER INC 2002-08-13 US disclosed
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed
US-6166064-A Sulfonyl urea derivatives and their use in the control of interleukin-1 activity PFIZER INC (US) 2000-12-26 US disclosed
EP-0964849-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1999-12-22 EP disclosed
WO-1998032733-A1 SULFONYL UREA DERIVATIVES AND THEIR USE IN THE CONTROL OF INTERLEUKIN-1 ACTIVITY PFIZER INC. (US) 1998-07-30 WO disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SMN1; SMN2 279/4885ALDH1A1 641/4885GAA 597/4885
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 SMN1; SMN2 4355/4885ALDH1A1 3131/4885GAA 4584/4885
US-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP SMN1; SMN2 961/4885ALDH1A1 939/4885GAA 22/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP SMN1; SMN2 961/4885ALDH1A1 939/4885GAA 22/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT SMN1; SMN2 279/4885ALDH1A1 641/4885GAA 597/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT SMN1; SMN2 279/4885ALDH1A1 641/4885GAA 597/4885

“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.