SCHEMBL19852217

SCHEMBL19852217

COc1ccc2c(c1)C(CN1CCC(OCc3cccnc3)CC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.47
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
MTNR1A P48039 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
HTR1A P08908 1/20 0.43
LMNA P02545 1/20 0.42
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL21071558 0.89 CYP19A1 (0.47) MTNR1ASIGMAR1HTR1ACYP19A1CYP11B1
SCHEMBL19852210 0.88 MTNR1A (0.46) MTNR1ASIGMAR1HTR1AGRIN1GRIN2B
SCHEMBL19852297 0.85 MTNR1A (0.45) OGAKDM4EGFERMTNR1ASIGMAR1
SCHEMBL19838572 0.83 CARM1 (0.48) MTNR1ALMNA
SCHEMBL19838958 0.80 CYP26A1 (0.46) MTNR1ASIGMAR1HTR1A
SCHEMBL21071682 0.80 CYP19A1 (0.49) MTNR1ASIGMAR1CYP19A1CYP11B1
SCHEMBL19852213 0.80 CARM1 (0.50) MTNR1ASIGMAR1HTR1A
Hydrochloric Acid SCHEMBL19838838 0.80 CYP26A1 (0.45) MTNR1ASIGMAR1HTR1A
SCHEMBL19852215 0.80 CARM1 (0.50) MTNR1ASIGMAR1HTR1ALMNA
SCHEMBL21071424 0.79 MTNR1A (0.47) OGAMTNR1ASIGMAR1

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 OGA 3163/4885CHRM2 325/4885CHRM1 462/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C OGA 3163/4885CHRM2 325/4885CHRM1 462/4885

“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.