SCHEMBL8248041

SCHEMBL8248041

F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 1.00
▸ THRB P10828 1/20 1.00
▸ KIF11 P52732 5/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DYRK1A Q13627 2/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34

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
SCHEMBL29369556 1.00 HTT (1.00) HTTTHRBKIF11CTSVCTSL
SCHEMBL8898607 1.00 HTT (1.00) HTTTHRBKIF11CTSVCTSL
SCHEMBL8898611 1.00 HTT (1.00) HTTTHRBKIF11CTSVCTSL
SCHEMBL8898736 0.99 HTT (0.98) HTTTHRBKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL31741907 0.99 HTT (0.98) HTTTHRBKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL1271897 0.99 HTT (0.98) HTTTHRBKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL1271899 0.99 HTT (0.98) HTTTHRBKIF11CTSVCTSL
Hydrochloric Acid SCHEMBL1061360 0.99 HTT (0.98) HTTTHRBKIF11CTSVCTSL
SCHEMBL8898703 0.87 THRB (0.77) HTTTHRBKIF11CTSVCTSL
SCHEMBL8900565 0.87 THRB (0.77) HTTTHRBKIF11CTSVCTSL

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-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 — — EP claimed
EP-3013371-A1 RETT SYNDROME AND TREATMENTS THEREFORE Rett Syndrome Research Trust (US) 2016-05-04 — — EP disclosed
WO-2014210389-A1 RETT SYNDROME AND TREATMENTS THEREFORE RETT SYNDROME RESEARCH TRUST (US) 2014-12-31 — — WO disclosed
US-20140286945-A1 ENZYME INHIBITOR FOR CANCER TREATMENT THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2014-09-25 — — US disclosed
US-20140286945-A1 ENZYME INHIBITOR FOR CANCER TREATMENT THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2014-09-25 — — US disclosed
US-20090209510-A1 Novel Method of Treating Hyperlipidemia TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090209510-A1 Novel Method of Treating Hyperlipidemia TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090118255-A1 Crp Lowering Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 — — US disclosed
US-20090118255-A1 Crp Lowering Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-07 — — US disclosed
US-20090082333-A1 REMEDY FOR XANTHOMA NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2009-03-26 — — US disclosed
EP-1889632-A1 REMEDY FOR XANTHOMA National University Corp. Kobe University (JP) 2008-02-20 — — EP disclosed
WO-2006129859-A2 COMBINATIONS OF A SQUALENE SYNTHASE INHIBITOR AND A HMG-COA REDUCTASE INHIBITOR FOR TREATING HYPERLIPIDEMIA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-12-07 — — WO disclosed
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 — — 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 (4 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-20090082333-A1 REMEDY FOR XANTHOMA FDFT1, LSS, SQLE HTT 4085/4885THRB 3582/4885KIF11 3659/4885
US-20090118255-A1 Crp Lowering Agent SPR, RBP1, HMGCR HTT 4387/4885THRB 1644/4885KIF11 4866/4885
US-20090209510-A1 Novel Method of Treating Hyperlipidemia HMGCR, LIPC, LIPA HTT 3546/4885THRB 2252/4885KIF11 4063/4885
US-20140286945-A1 ENZYME INHIBITOR FOR CANCER TREATMENT LCAT, CES1, NCEH1 HTT 4841/4885THRB 3885/4885KIF11 3837/4885

“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.

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