SCHEMBL17892928

SCHEMBL17892928

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 4/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL17892945 0.82 TSHR (0.44) RAB9ANPC1TSHROPRM1OPRL1
SCHEMBL17892947 0.82 MAPK1 (0.49) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL14711534 0.77 HPGD (0.47) RAB9ANPC1HPGDMAPTKDM4E
SCHEMBL5520135 0.75 ALDH1A1 (0.36) RAB9ANPC1TSHROPRM1OPRL1
SCHEMBL15897081 0.75 RAB9A (0.42) RAB9ANPC1TSHRMAPTKDM4E
SCHEMBL20919672 0.72 RAB9A (0.40) RAB9ANPC1TSHRMAPTKDM4E
SCHEMBL15241016 0.72 OPRM1 (0.35) RAB9ANPC1HPGDTSHROPRM1
SCHEMBL5522061 0.71 GBA1 (0.39) RAB9ANPC1OPRM1OPRL1KDM4E
SCHEMBL1093908 0.70 ATM (0.50) RAB9ANPC1TSHRMAPTKDM4E
SCHEMBL30805980 0.70 ALDH1A1 (0.43) RAB9AHPGDOPRM1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240543-B1 BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
EP-3240542-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-3240542-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
EP-3240543-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109216-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016109215-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 RAB9A 2033/4885NPC1 3116/4885HPGD 4206/4885
US-20180118766-A1 BTK INHIBITORS BTK, SYK, LYN RAB9A 2196/4885NPC1 2994/4885HPGD 3980/4885
US-20170340631-A1 BTK INHIBITORS BTK, SYK, LYN RAB9A 2033/4885NPC1 3116/4885HPGD 4206/4885

“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.