SCHEMBL6770189

SCHEMBL6770189

Brc1ccc(CC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
LTA4H P09960 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
GBA1 P04062 1/20 0.41
MEN1 O00255 1/20 0.39

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
SCHEMBL19110509 0.98 LTA4H (0.46) KMT2ANPC1RAB9ASLC6A2SLC6A4
SCHEMBL23574239 0.95 SLC6A2 (0.44) KMT2ANPC1RAB9ASLC6A2SLC6A4
SCHEMBL1119520 0.91 SLC6A2 (0.46) SLC6A2SLC6A4GBA1
Ammonia Solution, Strong SCHEMBL987776 0.88 SLC6A2 (0.45) SLC6A2SLC6A4GBA1
SCHEMBL578602 0.81 GBA1 (0.66) SLC6A2SLC6A4HRH3GBA1
SCHEMBL24622493 0.81 SLC6A2 (0.41) SLC6A2SLC6A4GBA1
SCHEMBL2090678 0.81 SLC6A2 (0.41) SLC6A2SLC6A4GBA1
SCHEMBL578726 0.78 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL18404400 0.77 LTA4H (0.44) SLC6A2SLC6A4LTA4HHRH3GBA1
SCHEMBL14278032 0.77 LTA4H (0.44) LTA4HHRH3GBA1

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
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
EP-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 EP disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 CN disclosed
WO-2021108483-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-06-03 WO disclosed
CN-110642669-A Preparation method of para-substituted bromobenzene 上海博栋化学科技有限公司 2020-01-03 CN disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 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-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 KMT2A 3482/4885NPC1 658/4885RAB9A 129/4885

“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.