SCHEMBL3237384

SCHEMBL3237384

C1CCC(OC[C@H]2CO2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
TP53 P04637 2/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 8/20 0.38
TDP1 Q9NUW8 3/20 0.36
MAPK1 P28482 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
HIF1A Q16665 1/20 0.32
GLA P06280 1/20 0.31

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
SCHEMBL19838618 1.00 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL472962 1.00 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL28660114 1.00 TSHR (0.44) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL23188208 0.98 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL22456789 0.98 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL21450961 0.98 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2NPC1
Methane SCHEMBL11458710 0.98 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL21452877 0.98 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL20036774 0.98 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2NPC1
SCHEMBL7876608 0.98 TSHR (0.46) TSHRTP53CYP3A4SMN1; SMN2NPC1

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 10 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
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed
US-7745438-B2 3-(2-acylamino-1-hydroxyethyl)-morpholine derivatives and their use as bace inhibitors ELI LILLY AND COMPANY (US) 2010-06-29 US disclosed
EP-2091928-A2 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2009-08-26 EP disclosed
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 US disclosed
WO-2006034093-A2 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS ELLI LILLY AND COMPANY (US) 2006-03-30 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 (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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C TSHR 2163/4885TP53 4757/4885CYP3A4 1177/4885
US-20070225267-A1 3-(2-Acylamino-1-Hydroxyethyl)-Morpholine Derivatives and Their Use as Bace Inhibitors BACE1, BACE2, APP TSHR 4762/4885TP53 2816/4885CYP3A4 423/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C TSHR 2163/4885TP53 4757/4885CYP3A4 1177/4885

“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.