SCHEMBL19852030

SCHEMBL19852030

COc1ccccc1N1CCC2(CCN(CC3CCc4cccnc43)C2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.54
DRD3 P35462 12/20 0.54
HTR2C P28335 1/20 0.43
HTR1A P08908 3/20 0.42
OPRL1 P41146 2/20 0.42
KCNH2 Q12809 2/20 0.42
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL19852029 0.85 DRD2 (0.59) DRD2DRD3HTR2CHTR1AADRA1D
SCHEMBL21071419 0.83 KCNH2 (0.38) DRD2DRD3HTR2COPRL1KCNH2
SCHEMBL19852040 0.81 KCNH2 (0.38) DRD2DRD3HTR1AOPRL1KCNH2
SCHEMBL19852038 0.80 DRD2 (0.55) DRD2DRD3HTR2CHTR1AADRA1D
SCHEMBL21072380 0.71 CYP2D6 (0.53)
SCHEMBL19852336 0.67 OPRL1 (0.44) DRD2HTR2COPRL1KCNH2ADRA1D
SCHEMBL11630742 0.66 HTR2C (0.82) DRD2DRD3HTR2CHTR1A
Hydrochloric Acid SCHEMBL23411056 0.66 DRD2 (0.80) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL23411580 0.65 DRD2 (0.84) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL29933137 0.65 DRD2 (0.84) DRD2DRD3HTR1AADRA1DADRA1A

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 69/4885DRD3 290/4885HTR2C 3/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C DRD2 69/4885DRD3 290/4885HTR2C 3/4885

“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.