SCHEMBL9230853

SCHEMBL9230853

CCCCCCCCn1cc(CN2CCSCC2)c2cc(F)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 16/20 0.60
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ CACNB4 O00305 1/20 0.45
▸ CACNA1A O00555 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNG3 O60359 1/20 0.45
▸ CACNA1F O60840 1/20 0.45
▸ CACNA1H O95180 1/20 0.45
▸ CACNB3 P54284 1/20 0.45
▸ CACNA2D1 P54289 1/20 0.45
▸ CACNG7 P62955 1/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ CACNA1D Q01668 1/20 0.45
▸ CACNB1 Q02641 1/20 0.45
▸ CACNG1 Q06432 1/20 0.45
▸ CACNB2 Q08289 1/20 0.45
▸ CACNA1S Q13698 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45

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
SCHEMBL11893389 0.90 ICMT (0.67) ICMTDRD2DRD4DRD3CACNB4
SCHEMBL11893475 0.89 ICMT (0.67) ICMTDRD2DRD4DRD3CACNB4
SCHEMBL11893503 0.89 ICMT (0.67) ICMTDRD2DRD4DRD3CACNB4
SCHEMBL9237440 0.88 ICMT (0.68) ICMTDRD2DRD4DRD3CACNB4
SCHEMBL11893487 0.76 ICMT (0.80) ICMT
SCHEMBL9236507 0.75 ICMT (1.00) ICMT
SCHEMBL9237943 0.74 ICMT (0.84) ICMT
SCHEMBL9231256 0.74 ICMT (0.74) ICMT
SCHEMBL9238459 0.74 ICMT (1.00) ICMT
SCHEMBL9238775 0.73 ICMT (0.50) ICMTCACNB4CACNA1ACACNA1GCACNG3

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-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 — — US claimed
EP-2459533-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY National University of Singapore (SG) 2012-06-06 — — EP claimed
US-8742100-B2 Small molecule inhibitors of isoprenylcysteine carboxyl methyltransferase with potential anticancer activity NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-06-03 — — US disclosed
US-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-08-02 — — US disclosed
EP-2459533-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY National University of Singapore (SG) 2012-06-06 — — 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 (1 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-20120197014-A1 SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY ICMT, BHMT, SHMT1 ICMT 1/4885DRD2 4333/4885DRD4 4400/4885

“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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