SCHEMBL3697186

SCHEMBL3697186

O=C(O)C=C1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.50
RXRA P19793 2/20 0.49
MITF O75030 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
CES1 P23141 1/20 0.47
CYP19A1 P11511 4/20 0.46
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 3/20 0.46
MIF P14174 5/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL3697185 1.00 MAOB (0.50) MAOBRXRAMITFHSP90AA1RAB9A
SCHEMBL9179498 1.00 MAOB (0.50) MAOBRXRAMITFHSP90AA1RAB9A
SCHEMBL3253387 0.89 RXRA (0.60) MAOBRXRAMITFHSP90AA1RAB9A
SCHEMBL8923632 0.89 RXRA (0.60) MAOBRXRAMITFHSP90AA1RAB9A
SCHEMBL12629637 0.89 RXRA (0.60) MAOBRXRAMITFHSP90AA1RAB9A
SCHEMBL8923628 0.89 RXRA (0.60) MAOBRXRAMITFHSP90AA1RAB9A
SCHEMBL20359030 0.87 MAOB (0.63) MAOBRAB9ACES1CYP19A1CYP11B2
SCHEMBL30835708 0.87 MAOB (0.63) MAOBRAB9ACES1CYP19A1CYP11B2
SCHEMBL8872375 0.87 MAOB (0.63) MAOBRAB9ACES1CYP19A1CYP11B2
SCHEMBL8872382 0.87 MAOB (0.63) MAOBRAB9ACES1CYP19A1CYP11B2

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 9 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-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
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-5929078-A ANTISEROTONINE AGENT SYNTHELABO (FR) 1999-07-27 US disclosed
EP-0490772-B1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR (FR) 1995-07-26 EP disclosed
EP-0490772-A1 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-06-17 EP 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 (3 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 MAOB 2260/4885RXRA 1184/4885MITF 2710/4885
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C MAOB 126/4885RXRA 3493/4885MITF 2943/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C MAOB 126/4885RXRA 3493/4885MITF 2943/4885

“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.