SCHEMBL985531

SCHEMBL985531

CCOC(=O)CN1CCc2sccc2C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
PIN4 Q9Y237 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CD274 Q9NZQ7 2/20 0.36
PDCD1 Q15116 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL985894 0.81 NOS3 (0.44) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL4440748 0.78 NOS3 (0.35) HTR2CHSD17B10MEN1RAB9AKMT2A
SCHEMBL4751608 0.73 MAPT (0.44) HSD17B10MEN1RAB9AKMT2AALDH1A1
SCHEMBL1425864 0.73 KDM4E (0.46) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL7399072 0.70 MAPT (0.61) HSD17B10TSHRMEN1RAB9AKMT2A
SCHEMBL9844494 0.70 DRD3 (0.66) HTR1AHTR2CTSHRMEN1KMT2A
SCHEMBL7797419 0.70 GSK3B (0.49) PIN1PIN4HSD17B10GSK3AGSK3B
Hydrochloric Acid SCHEMBL8824760 0.69 MAPT (0.60) HSD17B10TSHRMEN1RAB9AKMT2A
SCHEMBL6631313 0.69 CYP2C19 (0.49) TSHRMEN1KMT2AALDH1A1NPSR1
SCHEMBL1182615 0.69 SMN1; SMN2 (0.42) HSD17B10TSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 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 (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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 PIN1 1166/4885PIN4 4329/4885HTR1A 3211/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 PIN1 1166/4885PIN4 4329/4885HTR1A 3211/4885

“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.