SCHEMBL18872575

SCHEMBL18872575

CN(C(=O)CO)C1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.46
SLC6A2 P23975 16/20 0.43
KCNH2 Q12809 5/20 0.43
SLC6A3 Q01959 11/20 0.41
CYP2D6 P10635 4/20 0.40
CHRM3 P20309 1/20 0.39
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 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
SCHEMBL16408333 1.00 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL16408232 1.00 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL13478888 0.90 CHRM1 (0.42) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL24327704 0.85 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL30419345 0.85 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL13673559 0.85 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL15808506 0.81 SLC6A4 (0.43) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL30419169 0.80 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL30419218 0.80 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6
SCHEMBL30419208 0.80 SLC6A4 (0.46) SLC6A4SLC6A2KCNH2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. 2024-09-12 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
EP-3022194-B1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP 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 (2 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-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS SETD2, CARM1, SETDB1 SLC6A4 4362/4885SLC6A2 3379/4885KCNH2 3596/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 SLC6A4 4630/4885SLC6A2 4135/4885KCNH2 4617/4885

“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.