SCHEMBL19852009

SCHEMBL19852009

O=C1CCC(c2ccc(F)cc2)=NN1CN1CCC(Oc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
HTR7 P34969 2/20 0.44
HTR2A P28223 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ADRB2 P07550 1/20 0.43
SSTR5 P35346 1/20 0.41
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
PDE4B Q07343 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL1375384 0.76 HRH3 (0.58) HRH3KCNH2
SCHEMBL1373774 0.76 HRH3 (0.56) HRH3KCNH2
SCHEMBL19852219 0.75 HRH3 (0.43) HRH3ALDH1A1PDE4BMEN1KMT2A
SCHEMBL21144549 0.73 PDE4B (0.47) HRH3ALDH1A1PDE4BMEN1KMT2A
SCHEMBL11400133 0.72 ALDH1A1 (0.45) HRH3ALDH1A1PDE4BMEN1KMT2A
SCHEMBL11391393 0.72 PDE4B (0.46) HRH3ALDH1A1PDE4BMEN1KMT2A
SCHEMBL24059732 0.71 HRH3 (0.44) HRH3ALDH1A1PDE4BMEN1KMT2A
SCHEMBL19851997 0.71 DRD2 (0.50) ALDH1A1KCNH2DRD2MEN1KMT2A
SCHEMBL1372726 0.70 HRH3 (0.65) HRH3KCNH2
SCHEMBL11397697 0.70 THRB (0.45) HRH3ALDH1A1PDE4BMEN1KMT2A

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 HRH3 2732/4885HTR7 112/4885HTR2A 2/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HRH3 2732/4885HTR7 112/4885HTR2A 2/4885

“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.