SCHEMBL19852020

SCHEMBL19852020

CC(=O)CN1CCc2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
PTAFR P25105 1/20 0.47
BCAT2 O15382 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
DRD3 P35462 10/20 0.45
DRD1 P21728 4/20 0.45
DRD2 P14416 3/20 0.45
ACHE P22303 1/20 0.45
DRD4 P21917 1/20 0.44
PER2 O15055 1/20 0.44
CRY2 Q49AN0 1/20 0.44

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
SCHEMBL31445044 0.86 KDM4E (0.55) KDM4EALOX15TSHRSIRT1ACHE
SCHEMBL4880991 0.86 KDM4E (0.55) KDM4EALOX15TSHRSIRT1ACHE
SCHEMBL15233574 0.84 KDM4E (0.60) KDM4EALOX15TSHRSIRT1NPC1
SCHEMBL23099758 0.84 AOC3 (0.55) KDM4EALOX15TSHRSIRT1BCAT2
SCHEMBL4070429 0.81 AOC3 (0.56) ALOX15ALDH1A1
SCHEMBL29677014 0.80 MAPK1 (0.46) DRD3DRD1DRD2ACHEDRD4
SCHEMBL179076 0.80 HTT (0.51) NPC1ALDH1A1RAB9ADRD3DRD1
SCHEMBL31498948 0.80 NPC1 (0.50) KDM4EALOX15TSHRSIRT1BCAT2
SCHEMBL29438739 0.80 HTT (0.51) NPC1ALDH1A1RAB9ADRD3DRD1
Hydrochloric Acid SCHEMBL30777462 0.80 CHRM2 (0.57) KDM4EALOX15NPC1ALDH1A1RAB9A

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 KDM4E 3373/4885ALOX15 2921/4885TSHR 2163/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C KDM4E 3373/4885ALOX15 2921/4885TSHR 2163/4885

“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.