SCHEMBL4346290

SCHEMBL4346290

C1CCC(OCC2CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
EPHX2 P34913 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL18855865 0.97 CTSL (0.48) CTSLCTSBCTSKNPC1JAK2
SCHEMBL11814690 0.94 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL8640188 0.94 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL2700673 0.94 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL22449348 0.94 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL18561604 0.91 CTSL (0.46) CTSLCTSBCTSKNPC1JAK2
SCHEMBL28832774 0.89 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL24445851 0.89 CTSL (0.44) CTSLCTSBCTSKNPC1JAK2
SCHEMBL9425975 0.89 CTSL (0.44) CTSLCTSBCTSKNPC1JAK2
SCHEMBL19445929 0.87 CTSL (0.47) CTSLCTSBCTSKNPC1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED 2012-02-16 US disclosed
WO-2009158393-A1 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
US-20090275574-A1 NOVEL COMPOUNDS-300 ASTRAZENECA AB (SE) 2009-11-05 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-20120041028-A1 BENZIMIDAZOLES WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE CHRM1, CHRM2, CHRM4 CTSL 752/4885CTSB 1052/4885CTSK 1380/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 CTSL 4823/4885CTSB 4165/4885CTSK 4698/4885
US-20090275574-A1 NOVEL COMPOUNDS-300 CACNA1A, SCN10A, OPRM1 CTSL 2082/4885CTSB 2695/4885CTSK 1460/4885

“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.