SCHEMBL19852210

SCHEMBL19852210

COc1cccc(COC2CCN(CC3CCc4ccc(OC)cc43)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.46
SIGMAR1 Q99720 3/20 0.45
HTR1A P08908 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
NQO2 P16083 3/20 0.42
MTNR1B P49286 3/20 0.42
CARM1 Q86X55 3/20 0.41
PRMT6 Q96LA8 3/20 0.41
PRMT8 Q9NR22 1/20 0.41

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
SCHEMBL19852176 0.89 MTNR1A (0.43) MTNR1ASIGMAR1HTR1AGRIN1GRIN2B
SCHEMBL19852217 0.88 OGA (0.47) MTNR1ASIGMAR1HTR1AGRIN1GRIN2B
SCHEMBL19838572 0.87 CARM1 (0.48) MTNR1ANQO2MTNR1BCARM1PRMT6
SCHEMBL21071558 0.87 CYP19A1 (0.47) MTNR1ASIGMAR1HTR1ANQO2MTNR1B
SCHEMBL19838958 0.84 CYP26A1 (0.46) MTNR1ASIGMAR1HTR1ANQO2MTNR1B
SCHEMBL19852215 0.83 CARM1 (0.50) MTNR1ASIGMAR1HTR1ANQO2MTNR1B
SCHEMBL19852213 0.83 CARM1 (0.50) MTNR1ASIGMAR1HTR1ANQO2MTNR1B
Hydrochloric Acid SCHEMBL19838838 0.83 CYP26A1 (0.45) MTNR1ASIGMAR1HTR1ANQO2MTNR1B
SCHEMBL19852304 0.83 MTNR1A (0.49) MTNR1ASIGMAR1HTR1AGRIN1GRIN2B
SCHEMBL19852181 0.79 CCR3 (0.49) MTNR1ASIGMAR1NQO2MTNR1B

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 MTNR1A 395/4885SIGMAR1 612/4885HTR1A 13/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C MTNR1A 395/4885SIGMAR1 612/4885HTR1A 13/4885

“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.