SCHEMBL17437601

SCHEMBL17437601

O=C(NCC12CC3CC(CC(C3)C1)C2)[C@H]1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
EPHX2 P34913 7/20 0.49
PRCP P42785 2/20 0.48
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
P2RX7 Q99572 4/20 0.44
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL17437602 1.00 ALDH1A1 (0.51) ALDH1A1TSHREPHX2PRCPHSD17B10
SCHEMBL20748146 0.90 PRCP (0.46) ALDH1A1TSHREPHX2PRCPHSD17B10
SCHEMBL18761565 0.79 PRCP (0.49) PRCPHTR2CHTR2B
SCHEMBL5160032 0.76 EPHX1 (0.51) TSHREPHX2PRCP
SCHEMBL17437543 0.76 EPHX1 (0.51) TSHREPHX2PRCP
SCHEMBL4827562 0.76 EPHX1 (0.51) TSHREPHX2PRCP
SCHEMBL12529945 0.75 PRCP (0.57) PRCPHTR2CHTR2B
SCHEMBL18591161 0.75 ALDH1A1 (0.50) ALDH1A1TSHREPHX2HSD17B10L3MBTL1
SCHEMBL15329272 0.75 PRCP (0.70) PRCPHTR2CHTR2B
Hydrochloric Acid SCHEMBL18555050 0.74 ALDH1A1 (0.49) ALDH1A1TSHREPHX2HSD17B10L3MBTL1

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 6 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-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

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-10208023-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPV1, SCN1A ALDH1A1 1695/4885TSHR 914/4885EPHX2 4652/4885
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A ALDH1A1 1695/4885TSHR 914/4885EPHX2 4652/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S ALDH1A1 1872/4885TSHR 852/4885EPHX2 4561/4885

“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.