SCHEMBL19852297

SCHEMBL19852297

COc1ccc2c(c1)C(CN1CCC(Oc3cccnc3)CC1)CC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.45
OGA O60502 1/20 0.45
CYP19A1 P11511 3/20 0.42
CYP11B1 P15538 1/20 0.42
NQO2 P16083 3/20 0.41
MTNR1B P49286 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE10A Q9Y233 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
SCHEMBL21071424 0.90 MTNR1A (0.47) MTNR1AOGANQO2MTNR1BSIGMAR1
SCHEMBL21071682 0.89 CYP19A1 (0.49) MTNR1ACYP19A1CYP11B1NQO2MTNR1B
SCHEMBL19852304 0.88 MTNR1A (0.49) MTNR1ANQO2MTNR1BSIGMAR1
SCHEMBL19852217 0.85 OGA (0.47) MTNR1AOGACYP19A1CYP11B1KDM4E
SCHEMBL19852179 0.83 MTNR1A (0.48) MTNR1ANQO2MTNR1BSIGMAR1
SCHEMBL19852026 0.83 SIGMAR1 (0.49) MTNR1ANQO2MTNR1BSIGMAR1PDE3B
Hydrochloric Acid SCHEMBL19839321 0.82 MTNR1A (0.47) MTNR1ANQO2MTNR1BSIGMAR1
SCHEMBL21071733 0.82 MTNR1A (0.43) MTNR1ANQO2MTNR1BSIGMAR1
SCHEMBL19852181 0.82 CCR3 (0.49) MTNR1ANQO2MTNR1BSIGMAR1
SCHEMBL19852176 0.82 MTNR1A (0.43) MTNR1ANQO2MTNR1BSIGMAR1

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 395/4885OGA 3163/4885CYP19A1 2907/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C MTNR1A 395/4885OGA 3163/4885CYP19A1 2907/4885

“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.