SCHEMBL19852031

SCHEMBL19852031

Fc1ccc(N2CCC3(CCN(CC4Cc5cccnc5C4)C3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
DRD2 P14416 6/20 0.35
DRD3 P35462 4/20 0.35
HTR2A P28223 3/20 0.34
HTR1A P08908 3/20 0.34
HTR7 P34969 2/20 0.34
DRD4 P21917 1/20 0.34
HTR2C P28335 1/20 0.34
OGA O60502 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRL1 P41146 2/20 0.33
DRD1 P21728 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL19852036 0.87 KCNH2 (0.44) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL19852481 0.81 ITGB3 (0.37) KCNH2DRD2DRD3CYP3A4CYP2C19
SCHEMBL19852038 0.80 DRD2 (0.55) DRD2DRD3HTR2AHTR1AHTR2C
SCHEMBL19852040 0.78 KCNH2 (0.38) KCNH2DRD2DRD3HTR2AHTR1A
SCHEMBL19838591 0.71 HTR7 (0.44) KCNH2DRD2HTR2AHTR7HTR2C
Hydrochloric Acid SCHEMBL19839881 0.70 HTR7 (0.43) KCNH2DRD2HTR2AHTR7HTR2C
SCHEMBL19852486 0.68 OGA (0.30) OGA
SCHEMBL19852421 0.68 HTR2A (0.43) KCNH2DRD2HTR2AHTR7HTR2C
SCHEMBL19852368 0.68 SIGMAR1 (0.53) KCNH2DRD2HTR2AHTR2COPRL1
SCHEMBL19852132 0.68 SIGMAR1 (0.42) KCNH2DRD2DRD3HTR2AHTR1A

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 KCNH2 158/4885DRD2 69/4885DRD3 290/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C KCNH2 158/4885DRD2 69/4885DRD3 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.