SCHEMBL16337257

SCHEMBL16337257

CC1(C)OB(c2cc(N)cc(OCc3ccccc3)c2)OC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
MAOB P27338 6/20 0.49
MAOA P21397 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LPL P06858 3/20 0.41
LIPG Q9Y5X9 3/20 0.41
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 1/20 0.38
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL30345297 1.00 DGAT1 (0.54) DGAT1MAOBMAOAGAAMAPT
SCHEMBL15554329 0.84 DGAT1 (0.54) DGAT1MAOBLPLLIPGMMP2
SCHEMBL3619300 0.82 DGAT1 (0.57) DGAT1MAOBMAOALPLLIPG
SCHEMBL18241408 0.81 DGAT1 (0.51) DGAT1MAOBMAOAL3MBTL1LPL
SCHEMBL22467542 0.81 DGAT1 (0.54) DGAT1MAOBMAOAMAPTRAB9A
SCHEMBL23712498 0.80 TP53 (0.41) MAPTL3MBTL1LPLLIPGMEN1
SCHEMBL30345314 0.80 TP53 (0.41) MAPTL3MBTL1LPLLIPGMEN1
SCHEMBL298401 0.80 DGAT1 (0.72) DGAT1MAOBMAOAGAAMAPT
SCHEMBL3931335 0.80 DGAT1 (0.50) DGAT1MAOBMAOAGAAMAPT
SCHEMBL18241418 0.79 DGAT1 (0.49) DGAT1MAOBLPLLIPGMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS ONCODESIGN SA (FR) 2023-04-27 US disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 US disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 US disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 EP disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 EP disclosed
EP-3013337-B1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC (US) 2018-10-31 EP disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 US disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 US disclosed
EP-3013337-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS Abbvie Inc. (US) 2016-05-04 EP disclosed
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2015-01-01 US disclosed
WO-2014210255-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2014-12-31 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 (5 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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 DGAT1 2526/4885MAOB 2925/4885MAOA 3557/4885
US-20150005279-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 DGAT1 2526/4885MAOB 2925/4885MAOA 3557/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 DGAT1 2526/4885MAOB 2925/4885MAOA 3557/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 DGAT1 2526/4885MAOB 2925/4885MAOA 3557/4885
US-20230126352-A1 MACROCYCLIC RIP2-KINASE INHIBITORS RIPK2, RIPK1, RIPK3 DGAT1 2752/4885MAOB 4612/4885MAOA 4716/4885

“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.