SCHEMBL19852039

SCHEMBL19852039

O=C(NCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.70
DRD4 P21917 8/20 0.70
DRD3 P35462 7/20 0.70
POLB P06746 3/20 0.67
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ADRA1A P35348 1/20 0.58
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL4003845 0.81 HSD17B10 (0.77) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL4002846 0.80 DRD2 (1.00) DRD2DRD4DRD3
SCHEMBL19851992 0.80 TSHR (0.64) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4002378 0.79 DRD4 (0.69) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL4002664 0.78 DRD2 (1.00) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL5577914 0.78 CHRM3 (0.59) DRD2DRD4DRD3POLBALDH1A1
SCHEMBL10757967 0.76 MEN1 (0.70) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL29799167 0.76 HDAC1 (0.65) SMN1; SMN2KDM4EMAPT
SCHEMBL28742970 0.76 HDAC1 (0.65) SMN1; SMN2KDM4EMAPT
SCHEMBL2774517 0.76 DRD4 (0.64) DRD2DRD4DRD3POLBALDH1A1

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 237/4885DRD3 290/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C DRD2 69/4885DRD4 237/4885DRD3 290/4885

“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.