SCHEMBL23055401

SCHEMBL23055401

CC(=O)N1CCC2(CC1)CNCCO2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 18/20 0.40
SLC6A3 Q01959 18/20 0.40
SLC6A4 P31645 17/20 0.40
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2139746 0.86 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL1247032 0.85 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4
SCHEMBL27189669 0.85 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL29542823 0.84 POLB (0.44) SLC6A2SLC6A3SLC6A4CYP1A2
SCHEMBL18463247 0.82 TSHR (0.47) SMN1; SMN2SLC6A2SLC6A3SLC6A4
SCHEMBL996189 0.81 USP2 (0.49) SMN1; SMN2SLC6A2SLC6A3SLC6A4
SCHEMBL12334940 0.81 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL21635214 0.80 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4
SCHEMBL21635213 0.80 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL1247006 0.79 USP2 (0.48) SMN1; SMN2SLC6A2SLC6A3SLC6A4

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-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-20210061761-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-04 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 (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-20210061761-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 SMN1; SMN2 2091/4885SLC6A2 3156/4885SLC6A3 3824/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 SMN1; SMN2 2091/4885SLC6A2 3156/4885SLC6A3 3824/4885

“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.