SCHEMBL5413639

SCHEMBL5413639

CC1(C)CCCC(C)(C)N1CCN

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL2997998 0.84 NFKB1 (0.31) TSHRNFKB1CYP2C19
SCHEMBL10170023 0.84 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL6261365 0.82 DNM1 (0.33) TSHR
SCHEMBL10170322 0.79 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL10170323 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10171052 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL8476820 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL10171050 0.77 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL2494457 0.75 TSHR (0.38) TSHRNFKB1CYP2C19
SCHEMBL1929167 0.75 TSHR (0.33) TSHRNFKB1CYP2C19

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-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US disclosed
US-20040229838-A1 Purine derivatives PFIZER INC 2004-11-18 US disclosed
EP-1438046-A4 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2004-10-20 EP disclosed
EP-1438046-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2004-07-21 EP disclosed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP disclosed
US-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 US disclosed
EP-1296996-A1 PURINE DERIVATIVES Pfizer Limited (GB) 2003-04-02 EP disclosed
WO-2003004467-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2003-01-16 WO disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002000676-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-01-03 WO disclosed
US-4629739-A Substituted sulfonamidobenzamides and method of treating arrhythmias SCHERING A.G. (DE) 1986-12-16 US disclosed
EP-0158775-A1 Substituted sulfonamidobenzamides, antiarrythmic agents and compositions thereof SCHERING AKTIENGESELLSCHAFT (DE) 1985-10-23 EP disclosed
US-4544654-A Substituted sulfonamidobenzamides, antiarrhythmic agents and compositions thereof SCHERING A.G. (DE) 1985-10-01 US disclosed
US-4309546-A Piperidino pyrrolidinones CIBA-GEIGY CORPORATION (US) 1982-01-05 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 (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-20040229838-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 TSHR 646/4885NFKB1 2443/4885CYP2C19 376/4885
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A TSHR 2198/4885NFKB1 1458/4885CYP2C19 193/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 TSHR 646/4885NFKB1 2443/4885CYP2C19 376/4885

“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.