SCHEMBL19852003

SCHEMBL19852003

N#Cc1ccccc1OC1CCN(CC2CCOc3ccccc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
EPHX2 P34913 1/20 0.39
GPR6 P46095 1/20 0.38
KCNJ1 P48048 1/20 0.38
HTR1A P08908 3/20 0.36
PDE10A Q9Y233 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
RET P07949 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL19852004 0.84 KCNH2 (0.55) KCNH2HTR1AMEN1KMT2A
SCHEMBL19852006 0.83 HRH3 (0.56) KCNH2HTR1AHRH3
SCHEMBL19838628 0.79 HTR2A (0.41) KCNH2HTR1AHRH3
Hydrochloric Acid SCHEMBL19838581 0.78 HTR2A (0.41) KCNH2HTR1AHRH3
SCHEMBL19852005 0.74 HTR1A (0.50) KCNH2EPHX2HTR1A
SCHEMBL20068835 0.74 HRH3 (0.59) EPHX2GPR6PDE10AHRH3RET
SCHEMBL19852280 0.74 KCNH2 (0.45) KCNH2HTR1A
SCHEMBL19852469 0.73 PPARG (0.40) KCNH2HTR1A
SCHEMBL19852460 0.73 KCNH2 (0.46) KCNH2HTR1AMEN1KMT2A
SCHEMBL19839231 0.73 CARM1 (0.48) KCNH2HRH3

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 158/4885EPHX2 2521/4885GPR6 1549/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C KCNH2 158/4885EPHX2 2521/4885GPR6 1549/4885

“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.