SCHEMBL10100359

SCHEMBL10100359

CC(C)OC[C@H]1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRB2 P47870 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRA4 P48169 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 1/20 0.39
CHRM3 P20309 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.36
MAP2K1 Q02750 1/20 0.33
HRH4 Q9H3N8 3/20 0.33

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
SCHEMBL739410 1.00 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL10100356 1.00 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL3719975 0.98 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL23134361 0.88 CHRNB2 (0.39) CHRNB2CHRNA4IRAK4MAP2K1HRH4
SCHEMBL2621580 0.88 CHRNB2 (0.39) CHRNB2CHRNA4IRAK4MAP2K1HRH4
SCHEMBL738149 0.87 TDP1 (0.42) SLC6A2SLC6A4SLC6A3IRAK4TDP1
Hydrochloric Acid SCHEMBL3714072 0.86 CHRNB2 (0.38) CHRNB2CHRNA4IRAK4MAP2K1HRH4
SCHEMBL12801184 0.82
SCHEMBL10100352 0.80 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL23979792 0.79 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098825-A1 SOS1 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 勤浩医药(苏州)有限公司 2023-06-08 WO disclosed
WO-2023083269-A1 AROMATIC HETEROCYCLIC COMPOUND AND APPLICATION THEREOF 中国科学院上海药物研究所 2023-05-19 WO disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 SLC6A1 4391/4885GABRA5 3675/4885GABRB2 3180/4885

“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.