SCHEMBL1087900

SCHEMBL1087900

C[C@@H]1CNC[C@H](C)N1Cc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 6/20 0.46
▸ ALOX15 P16050 1/20 0.44
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ TSHR P16473 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 5/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ CYP2C19 P33261 3/20 0.34
▸ USP2 O75604 1/20 0.33

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
SCHEMBL2949619 0.75 TSHR (0.45) CYP2D6ALOX15TSHRALDH1A1CYP2C9
SCHEMBL2949620 0.75 TSHR (0.45) CYP2D6ALOX15TSHRALDH1A1CYP2C9
SCHEMBL1087874 0.69 CYP3A4 (0.43) CYP2D6TSHRALDH1A1MAPK1CYP3A4
SCHEMBL1087873 0.69 CYP3A4 (0.43) CYP2D6TSHRALDH1A1MAPK1CYP3A4
SCHEMBL14375259 0.69 ALOX15 (0.52) CYP2D6ALOX15TSHRALDH1A1CYP2C9
SCHEMBL6486975 0.69 ALOX15 (0.40) CYP2D6ALOX15TSHRALDH1A1CYP2C9
SCHEMBL11387438 0.69 ALDH1A1 (0.48) ALDH1A1
SCHEMBL211751 0.68 ALOX15 (0.72) CYP2D6ALOX15CHRM2CHRM1CHRM3
SCHEMBL4914558 0.68 ALOX15 (0.72) CYP2D6ALOX15CHRM2CHRM1CHRM3
SCHEMBL1088353 0.68 CASP6 (0.52) CYP2D6ALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 — — EP disclosed
US-8946217-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2015-02-03 — — US disclosed
US-20140294946-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 — — US disclosed
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2013-11-28 — — US disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 — — US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 — — US disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 — — US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 — — US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 — — US disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 — — EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 — — WO 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-20140294946-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP2D6 921/4885ALOX15 4151/4885CHRM2 2135/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP2D6 921/4885ALOX15 4151/4885CHRM2 2135/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 CYP2D6 934/4885ALOX15 4148/4885CHRM2 2162/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP2D6 921/4885ALOX15 4151/4885CHRM2 2135/4885
US-20130317017-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP2D6 921/4885ALOX15 4151/4885CHRM2 2135/4885

“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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