SCHEMBL19852481

SCHEMBL19852481

Fc1ccc(N2CCC3(CCN(CC4Cc5ccncc5C4)C3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
CYP3A4 P08684 5/20 0.36
CYP2C19 P33261 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD3 P35462 1/20 0.36
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35

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 0.86 KCNH2 (0.44) CYP3A4DRD2DRD1DRD3KCNH2
SCHEMBL19852031 0.81 KCNH2 (0.36) CYP3A4CYP2C19DRD2DRD1DRD3
SCHEMBL19852002 0.70 NAMPT (0.51)
SCHEMBL19852040 0.69 KCNH2 (0.38) DRD2DRD3KCNH2
SCHEMBL11955830 0.67 CYP3A4 (0.54) ITGB3ITGA2BCYP3A4CYP2C19TSHR
SCHEMBL19852359 0.65 SIGMAR1 (0.54) DRD2DRD3KCNH2
SCHEMBL19852134 0.65 SIGMAR1 (0.43) DRD2DRD3KCNH2
SCHEMBL13168034 0.63 ITGB3 (0.54) ITGB3ITGA2BCYP3A4CYP2C19TSHR
SCHEMBL27364139 0.62 EBP (0.43) KCNH2
SCHEMBL11955399 0.62 KDM4E (0.49) CA12CA1CA2CA9DRD2

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 ITGB3 1034/4885ITGA2B 192/4885CYP3A4 1177/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C ITGB3 1034/4885ITGA2B 192/4885CYP3A4 1177/4885

“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.