SCHEMBL12384237

SCHEMBL12384237

CC(F)CN1CCC(C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.34
WNT1 P04628 2/20 0.30
GSK3B P49841 2/20 0.30
DYRK1A Q13627 2/20 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
SCHEMBL12384250 0.87 SLC18A3 (0.34) SLC18A3
SCHEMBL29296372 0.83 LMNA (0.35) SLC18A3WNT1GSK3BDYRK1A
SCHEMBL6124875 0.82 PIK3CD (0.43) SLC18A3
SCHEMBL12425961 0.80 SIGMAR1 (0.42)
SCHEMBL26816771 0.79 SLC18A3 (0.54) SLC18A3
SCHEMBL12385991 0.78 SLC18A3 (0.38) SLC18A3
Hydrochloric Acid SCHEMBL2291615 0.77 GNAI3 (0.44) SLC18A3
SCHEMBL25075207 0.77 GNAI3 (0.38)
SCHEMBL824152 0.77 SMN1; SMN2 (0.45)
SCHEMBL12166745 0.75 TSHR (0.41)

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
US-9745271-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2017-08-29 US disclosed
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2016-10-20 US disclosed
US-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2015-09-24 US disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20150266825-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 SLC18A3 3687/4885WNT1 3/4885GSK3B 7/4885
US-20160304524-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA RESPONSES TYK2, IFNAR1, JAK3 SLC18A3 4652/4885WNT1 2901/4885GSK3B 479/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SLC18A3 4711/4885WNT1 931/4885GSK3B 1745/4885

“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.