SCHEMBL19852006

SCHEMBL19852006

N#Cc1ccc(OC2CCN(CC3CCOc4ccccc43)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.56
SIGMAR1 Q99720 1/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 3/20 0.39
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
HTR1A P08908 2/20 0.38
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
SLC9A3 P48764 1/20 0.38

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
SCHEMBL19838628 0.86 HTR2A (0.41) HRH3KCNH2HRH1CCR3HTR1A
Hydrochloric Acid SCHEMBL19838581 0.85 HTR2A (0.41) HRH3KCNH2HRH1CCR3HTR1A
SCHEMBL19852003 0.83 KCNH2 (0.41) HRH3KCNH2HTR1A
SCHEMBL19852005 0.79 HTR1A (0.50) KCNH2HRH1CCR3HTR1AFPR2
SCHEMBL19852004 0.77 KCNH2 (0.55) SIGMAR1KCNH2HTR1A
SCHEMBL21072473 0.76 HTR7 (0.42) HRH3SIGMAR1HRH1CCR3HTR1A
SCHEMBL19852001 0.76 KCNH2 (0.43) MAOAMAOBKCNH2HTR1A
SCHEMBL19852325 0.75 KCNH2 (0.53) HRH3KCNH2HTR1A
SCHEMBL5207819 0.75 HRH3 (0.74) HRH3SIGMAR1KCNH2HRH1CCR3
SCHEMBL19852280 0.74 KCNH2 (0.45) KCNH2HTR1A

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 2732/4885SIGMAR1 612/4885MAOA 94/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HRH3 2732/4885SIGMAR1 612/4885MAOA 94/4885

“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.