SCHEMBL13766176

SCHEMBL13766176

CCC(C)(C)CCN1CCN(C(=O)C2CCCO2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
RECQL P46063 1/20 0.50
POLB P06746 5/20 0.49
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR2 P34972 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12788557 0.88 TSHR (0.55) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL13472632 0.87 TSHR (0.54) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL12156752 0.84 TSHR (0.59) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL13612865 0.82 TSHR (0.50) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL14195508 0.82 TSHR (0.54) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL13612615 0.81 TSHR (0.56) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL13935662 0.81 TSHR (0.61) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL12788391 0.81 TSHR (0.53) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL12788448 0.80 TSHR (0.57) TSHRRECQLPOLBKMT2AALDH1A1
SCHEMBL12443038 0.79 TSHR (0.56) TSHRRECQLPOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 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 (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-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE TSHR 3111/4885RECQL 1516/4885POLB 3963/4885

“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.