SCHEMBL19851997

SCHEMBL19851997

O=C1CCC(c2ccc(F)cc2)=NN1CN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD3 P35462 1/20 0.44
FNTA P49354 1/20 0.42
PGGT1B P53609 1/20 0.42

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
SCHEMBL23697635 0.73 MAPT (0.59) ALDH1A1MEN1KMT2A
SCHEMBL18177901 0.72 MAPT (0.68) DRD2DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL19852219 0.72 HRH3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL19852009 0.71 HRH3 (0.44) DRD2KCNH2ALDH1A1MEN1KMT2A
SCHEMBL21144549 0.70 PDE4B (0.47) ALDH1A1MEN1KMT2A
SCHEMBL11477990 0.69 SLC6A4 (0.53) DRD2DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL1752800 0.69 HTR1A (0.46) DRD2DRD4ALDH1A1DRD3
SCHEMBL11391393 0.69 PDE4B (0.46) ALDH1A1MEN1KMT2A
SCHEMBL24059732 0.68 HRH3 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL4249859 0.68 SLC6A4 (0.51) DRD2DRD4SLC6A2SLC6A4SLC6A3

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 5 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-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
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO 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 DRD2 69/4885DRD4 237/4885SLC6A2 5/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C DRD2 69/4885DRD4 237/4885SLC6A2 5/4885

“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.