SCHEMBL19852520

SCHEMBL19852520

c1ccc(CC2CN(CC3CCc4ccccc43)CCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.44
HTR6 P50406 1/20 0.44
SIGMAR1 Q99720 7/20 0.44
HTR1A P08908 4/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL9174172 0.77 SIGMAR1 (0.43) HTR6SIGMAR1HTR1A
SCHEMBL8291789 0.75 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13319146 0.75 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5748888 0.75 DRD4 (0.73) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13554191 0.74 DRD4 (0.55) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9311027 0.73 HTR6 (0.75) HTR6
SCHEMBL11550399 0.71 DRD4 (0.59) DRD4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL6795934 0.70 METAP1 (0.51) HTR6SIGMAR1HTR1A
SCHEMBL19852433 0.70 GRIN2B (0.53) DRD4SIGMAR1HTR1ADRD2
SCHEMBL17965933 0.69 DRD4 (0.63) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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 DRD4 237/4885HTR6 42/4885SIGMAR1 612/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C DRD4 237/4885HTR6 42/4885SIGMAR1 612/4885

“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.