SCHEMBL19852437

SCHEMBL19852437

OC(COc1cccc2ccccc12)CN1CC[C@H](Oc2ccc(F)cc2)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 10/20 0.76
DRD2 P14416 6/20 0.76
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPT P10636 6/20 0.54
TDP1 Q9NUW8 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
DRD3 P35462 4/20 0.54
MAPK1 P28482 4/20 0.52
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
NR1I2 O75469 1/20 0.51
NR3C1 P04150 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51

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
SCHEMBL21142445 1.00 DRD4 (0.76) DRD4DRD2CYP1A2CYP2C19MAPT
SCHEMBL6212018 0.86 DRD4 (0.56) DRD4DRD2MEN1KMT2ADRD3
SCHEMBL6213993 0.85 DRD4 (0.55) DRD4DRD2DRD3TSHRADRB1
SCHEMBL6213224 0.83 MEN1 (0.60) DRD4DRD2MAPTMEN1KMT2A
SCHEMBL7510325 0.82 DRD4 (0.52) DRD4DRD2DRD3LMNATSHR
SCHEMBL6211708 0.82 ABCB1 (0.63) DRD4DRD2KMT2ADRD3LMNA
SCHEMBL6342134 0.82 TSHR (0.53) DRD4DRD2MAPTMEN1KMT2A
SCHEMBL7510245 0.82 DRD4 (0.51) DRD4DRD2MAPTMEN1KMT2A
SCHEMBL6212596 0.81 DRD4 (0.51) DRD4DRD2DRD3TSHRADRB1
SCHEMBL6212964 0.81 ABCB1 (0.65) DRD4DRD2DRD3TSHRKCNH2

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-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
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 237/4885DRD2 69/4885CYP1A2 201/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C DRD4 237/4885DRD2 69/4885CYP1A2 201/4885

“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.