SCHEMBL16075263

SCHEMBL16075263

CC(C)(C)N1CC2(CN(C(=O)/C=C/CN3CCOCC3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
EGFR P00533 2/20 0.30
LCK P06239 1/20 0.30
ITK Q08881 1/20 0.30
ELANE P08246 3/20 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
SCHEMBL16127675 0.85 BTK (0.41) BTKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16257026 0.82 BTK (0.39) BTKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16078792 0.80 BTK (0.41) BTKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL24689062 0.78 BTK (0.41) BTKSMN1; SMN2ALDH1A1HSD17B10ALOX15
SCHEMBL16075264 0.74 BTK (0.36) BTKEGFR
SCHEMBL19909682 0.74 HRH3 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL16075243 0.73 CRHBP (0.31)
SCHEMBL2618874 0.71 LMNA (0.40) BTKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL18133903 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19303490 0.69 BTK (0.39) BTKNPC1RAB9AHPGDHSD17B10

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-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 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 (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-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885SMN1; SMN2 4824/4885NPC1 2767/4885

“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.