SCHEMBL21145387

SCHEMBL21145387

COc1ccccc1OC1CCN(CC2c3ccccc3CC2(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38
EPHX2 P34913 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
DRD4 P21917 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
SCHEMBL19852462 0.79 OPRM1 (0.40) DRD2HTR7KMT2AMEN1HTR1A
SCHEMBL19852300 0.78 HTR7 (0.47) DRD2HTR7KMT2AMEN1SIGMAR1
SCHEMBL19852152 0.77 PDE4A (0.43) SLC6A2CYP2D6SLC6A4DRD2HTR7
SCHEMBL19852349 0.77 SIGMAR1 (0.52) DRD2HTR7SIGMAR1HTR1ASMN1; SMN2
SCHEMBL19852298 0.77 OPRM1 (0.35) SLC6A2CYP2D6SLC6A4DRD2HTR7
SCHEMBL25619737 0.76 LMNA (0.50) DRD2SIGMAR1HTR1AEPHX2SMN1; SMN2
SCHEMBL21071614 0.76 HTR7 (0.45) DRD2HTR7KMT2AMEN1SIGMAR1
SCHEMBL19852460 0.71 KCNH2 (0.46) DRD2KMT2AMEN1SIGMAR1HTR1A
SCHEMBL19374778 0.71 SMN1; SMN2 (0.52) SLC6A2CYP2D6DRD2KMT2AMEN1
SCHEMBL19852004 0.70 KCNH2 (0.55) DRD2KMT2AMEN1SIGMAR1HTR1A

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 5/4885CYP2D6 571/4885SLC6A4 15/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SLC6A2 5/4885CYP2D6 571/4885SLC6A4 15/4885

“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.