SCHEMBL12123736

SCHEMBL12123736

Cc1ccc(C(=O)CCN2CCC(C)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
MAPT P10636 1/20 0.64
TAAR1 Q96RJ0 1/20 0.64
KMT2A Q03164 6/20 0.62
MEN1 O00255 2/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD1 P21728 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
DRD3 P35462 1/20 0.54
KCNH2 Q12809 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
GAA P10253 1/20 0.52
CYP2J2 P51589 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
NPC1 O15118 1/20 0.44

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
SCHEMBL1140912 0.87 KMT2A (0.68) LMNAALDH1A1HPGDMAPTTAAR1
Hydrochloric Acid SCHEMBL22614720 0.86 KMT2A (0.71) LMNAALDH1A1HPGDMAPTTAAR1
SCHEMBL13913702 0.83 KMT2A (0.78) LMNAALDH1A1KMT2AMEN1CHRM2
SCHEMBL12123658 0.80 HTR1A (0.56) LMNAALDH1A1HPGDMAPTTAAR1
SCHEMBL1140551 0.79 ALDH1A1 (0.68) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL12123614 0.77 ALDH1A1 (0.71) LMNAALDH1A1HPGDMAPTKMT2A
Hydrochloric Acid SCHEMBL7929096 0.76 TSHR (0.62) LMNAALDH1A1HPGDMAPTKMT2A
SCHEMBL12123790 0.75 ALDH1A1 (0.73) LMNAALDH1A1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7932182 0.74 ALDH1A1 (0.74) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL10537607 0.73 KMT2A (0.62) LMNAALDH1A1HPGDMAPTTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK LMNA 4556/4885ALDH1A1 4370/4885HPGD 4547/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK LMNA 4556/4885ALDH1A1 4370/4885HPGD 4547/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK LMNA 4556/4885ALDH1A1 4370/4885HPGD 4547/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK LMNA 4556/4885ALDH1A1 4370/4885HPGD 4547/4885

“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.