SCHEMBL17892945

SCHEMBL17892945

O=C(O)CC1(c2ccc(Br)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL17892928 0.82 RAB9A (0.39) TSHRALDH1A1KDM4ERAB9ANPC1
SCHEMBL5520135 0.80 ALDH1A1 (0.36) TSHRALDH1A1KDM4ERAB9ANPC1
SCHEMBL5526276 0.75 ALDH1A1 (0.47) TSHRALDH1A1KDM4ERAB9ANPC1
SCHEMBL4001 0.74 HSD11B1 (0.57) TSHRALDH1A1MAPK1HSD11B1RAB9A
SCHEMBL15241016 0.73 OPRM1 (0.35) TSHRALDH1A1KDM4EMAPK1RAB9A
SCHEMBL5522061 0.72 GBA1 (0.39) ALDH1A1KDM4EMAPK1RAB9ANPC1
SCHEMBL17892939 0.72 GBA1 (0.32) ALDH1A1KDM4EOPRM1OPRL1
SCHEMBL25259061 0.72 ALDH1A1 (0.34) TSHRALDH1A1KDM4EMAPK1RAB9A
SCHEMBL29536080 0.72 ALDH1A1 (0.34) TSHRALDH1A1KDM4EMAPK1RAB9A
SCHEMBL9936063 0.72 ALDH1A1 (0.44) TSHRALDH1A1KDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240542-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
US-10130630-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-20 US disclosed
US-20180118766-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-03 US disclosed
US-20170340631-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 US disclosed
EP-3240543-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
EP-3240542-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109215-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016106629-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016106628-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 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 (3 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-10130630-B2 BTK inhibitors BTK, SYK, LYN TSHR 2090/4885ALDH1A1 4304/4885KDM4E 986/4885
US-20180118766-A1 BTK INHIBITORS BTK, SYK, LYN TSHR 2135/4885ALDH1A1 4251/4885KDM4E 935/4885
US-20170340631-A1 BTK INHIBITORS BTK, SYK, LYN TSHR 2090/4885ALDH1A1 4304/4885KDM4E 986/4885

“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.