SCHEMBL95266

SCHEMBL95266

C[SiH](C)OC(C1CCCCN1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.36
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 5/20 0.36
DHFR P00374 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6529800 0.95 SLC6A3 (0.31) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6484490 0.95 SLC6A3 (0.31) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5787963 0.95 SLC6A3 (0.31) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL1771338 0.76 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4
SCHEMBL5785839 0.73
SCHEMBL1869194 0.73
SCHEMBL3008891 0.71 TACR1 (0.36) LMNATSHR
SCHEMBL16921037 0.70 SLC6A2 (0.45) SLC6A3SLC6A2SLC6A4
SCHEMBL1771341 0.69 CYP2D6 (0.44) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL23075798 0.69 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2011-05-12 US disclosed
US-7696246-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-04-13 US disclosed
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2010-03-18 US disclosed
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin LIGAND PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-6964973-B2 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-11-15 US disclosed
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6566372-B1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer LIGAND PHARMACEUTICALS INCORPORATED 2003-05-20 US disclosed
EP-1212303-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016108-A2 BICYCLIC ANDROGEN AND PROGESTERONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 WO disclosed
EP-0429984-B1 Indole derivatives NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5124324-A Psychological disorders, 5-hydroxy tryptamine antagonists NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-06-23 US disclosed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 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 (5 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-20120065231-A1 THIOPHENE DERIVATIVE AR, NR5A1, SHBG SLC6A3 801/4885SLC6A2 1523/4885SLC6A4 493/4885
US-20100069379-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR SLC6A3 3694/4885SLC6A2 3807/4885SLC6A4 2734/4885
US-20110112084-A9 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR SLC6A3 3694/4885SLC6A2 3807/4885SLC6A4 2734/4885
US-20050288350-A1 Useful in female hormone replacement therapy and as modulators of fertility; therapy of dysfunctional uterine bleeding, dysmenorrhea, endometriosis, leiomyomas (uterine fibroids), hot flashes, mood disorders, meningiomas, cancer; 6-(bis-2,2,2-Trifluoroethyl)amino-4-trifluoromethylcoumarin FSHR, CYP19A1, ESR2 SLC6A3 4407/4885SLC6A2 4547/4885SLC6A4 3542/4885
US-20030130505-A1 Bicyclic androgen and progesterone receptor modulator compounds and methods AR, NR5A1, PGR SLC6A3 3694/4885SLC6A2 3807/4885SLC6A4 2734/4885

“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.