SCHEMBL17797492

SCHEMBL17797492

COc1ccc(CNc2ccc3c(c2)CCN(C2CC2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ OPRD1 P41143 3/20 0.46
▸ UTS2R Q9UKP6 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 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
SCHEMBL17797500 0.81 MAPT (0.49) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL31005784 0.80 MAPT (0.53) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL17797510 0.79 TMPRSS2 (0.53) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL17797642 0.79 TMPRSS2 (0.53) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL25627870 0.76 CRBN (0.50) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL17797522 0.75 ESR2 (0.56) MAPTRAB9ANPC1LMNAALDH1A1
SCHEMBL17797535 0.72 MAPT (0.53) MAPTRAB9ANPC1L3MBTL1LMNA
SCHEMBL20883725 0.72 HRH3 (0.44) SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL16846277 0.72 HRH3 (0.56) SLC6A2SLC6A4SLC6A3HRH3
Hydrochloric Acid SCHEMBL16824528 0.71 HRH3 (0.55) SLC6A2SLC6A4SLC6A3HRH3

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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 — — US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 — — WO 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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885RAB9A 580/4885NPC1 48/4885

“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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