SCHEMBL4827562

SCHEMBL4827562

O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.51
EPHX2 P34913 6/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRCP P42785 1/20 0.41
TSHR P16473 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
SCHEMBL5160032 1.00 EPHX1 (0.51) EPHX1EPHX2MEN1KMT2APRCP
SCHEMBL17437543 1.00 EPHX1 (0.51) EPHX1EPHX2MEN1KMT2APRCP
SCHEMBL6337057 0.95 EPHX1 (0.47) EPHX1EPHX2MEN1KMT2ATSHR
SCHEMBL15994667 0.80 EPHX2 (0.49) EPHX2
Hydrochloric Acid SCHEMBL9279520 0.79 TSHR (0.56) EPHX1EPHX2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL9279531 0.79 TSHR (0.56) EPHX1EPHX2MEN1KMT2ATSHR
SCHEMBL17437601 0.76 ALDH1A1 (0.51) EPHX2PRCPTSHR
SCHEMBL17437602 0.76 ALDH1A1 (0.51) EPHX2PRCPTSHR
SCHEMBL5157950 0.75 EPHX1 (0.61) EPHX1EPHX2KMT2ATSHR
SCHEMBL31462261 0.74 ALDH1A1 (0.53) EPHX2MEN1KMT2A

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-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 US disclosed
US-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20060009392-A1 Salt with physiologically tolerated acid; resistant to enzymatic degradation; oral administration ABBOTT GMBH & CO., KG. (US) 2006-01-12 US 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 (4 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-10208023-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPV1, SCN1A EPHX1 4175/4885EPHX2 4652/4885MEN1 609/4885
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A EPHX1 4175/4885EPHX2 4652/4885MEN1 609/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S EPHX1 3852/4885EPHX2 4561/4885MEN1 459/4885
US-20060009392-A1 Salt with physiologically tolerated acid; resistant to enzymatic degradation; oral administration CTRB1, CTRB2, BCKDK EPHX1 2265/4885EPHX2 1654/4885MEN1 1584/4885

“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.