SCHEMBL21145584

SCHEMBL21145584

CCOC(=O)CC1CN(C)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.43
SLC6A4 P31645 8/20 0.43
SLC6A3 Q01959 7/20 0.43
CYP1A2 P05177 1/20 0.43
IDO1 P14902 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.39
ALOX15 P16050 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39
NR1D1 P20393 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
SCHEMBL19852201 0.82 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19984866 0.80 CYP1A2 (0.49) CYP1A2IDO1SIGMAR1GAAKCNH2
SCHEMBL3348647 0.78 CYP1A2 (0.47) CYP1A2IDO1
SCHEMBL30618514 0.78 CYP1A2 (0.47) CYP1A2IDO1
SCHEMBL12363801 0.77 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL21081146 0.77 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL19020711 0.77 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL8057084 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL8057082 0.76 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3
SCHEMBL5468751 0.76 ALDH1A1 (0.49) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C SLC6A2 5/4885SLC6A4 15/4885SLC6A3 21/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SLC6A2 5/4885SLC6A4 15/4885SLC6A3 21/4885

“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.