SCHEMBL19852001

SCHEMBL19852001

COCc1cccc(OC2CCN(CC3CCOc4ccccc43)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
HTR1A P08908 5/20 0.42
OPRK1 P41145 3/20 0.39
FFAR1 O14842 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SLC5A7 Q9GZV3 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 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
SCHEMBL19852005 0.88 HTR1A (0.50) KCNH2HTR1AOPRK1CARM1PRMT6
SCHEMBL19838628 0.78 HTR2A (0.41) KCNH2HTR1ACARM1PRMT6
SCHEMBL19852004 0.78 KCNH2 (0.55) KCNH2HTR1AMEN1KMT2A
Hydrochloric Acid SCHEMBL19838581 0.77 HTR2A (0.41) KCNH2HTR1ACARM1PRMT6
SCHEMBL19852176 0.77 MTNR1A (0.43) HTR1A
SCHEMBL19852006 0.76 HRH3 (0.56) KCNH2HTR1AMAOAMAOB
SCHEMBL19839231 0.72 CARM1 (0.48) KCNH2CARM1PRMT6
SCHEMBL19852003 0.71 KCNH2 (0.41) KCNH2HTR1AMEN1KMT2A
SCHEMBL19852280 0.71 KCNH2 (0.45) KCNH2HTR1A
SCHEMBL19023332 0.69 OPRK1 (0.49) OPRK1SLC5A7MEN1KMT2A

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 158/4885HTR1A 13/4885OPRK1 116/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C KCNH2 158/4885HTR1A 13/4885OPRK1 116/4885

“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.