SCHEMBL8898607

SCHEMBL8898607

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
SCHEMBL8248041 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 8 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
US-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 — — US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 — — US disclosed
EP-3013371-A1 RETT SYNDROME AND TREATMENTS THEREFORE Rett Syndrome Research Trust (US) 2016-05-04 — — EP disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 — — WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 — — WO disclosed
WO-2014210389-A1 RETT SYNDROME AND TREATMENTS THEREFORE RETT SYNDROME RESEARCH TRUST (US) 2014-12-31 — — 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 (2 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY HTT 4774/4885THRB 2583/4885KIF11 4812/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY HTT 3493/4885THRB 3522/4885KIF11 4816/4885

“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.

Send feedback