SCHEMBL13093269

SCHEMBL13093269

CC(C)(C)c1nnc2n1CCOC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL14030416 0.89 GRM5 (0.33) GRM5P2RX7POLB
SCHEMBL14030383 0.84 GRM5 (0.33) GRM5P2RX7POLB
SCHEMBL10282161 0.75 POLB (0.47) ALDH1A1POLB
SCHEMBL14204166 0.71 ALDH1A1 (0.30) ALDH1A1POLB
SCHEMBL14030258 0.71 POLB (0.47) ALDH1A1POLB
SCHEMBL25100173 0.70 POLB (0.33) P2RX7ALDH1A1POLB
SCHEMBL11914660 0.70 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL14030438 0.70
SCHEMBL13104337 0.70 POLB (0.33) P2RX7ALDH1A1POLB
SCHEMBL14030286 0.69 POLB (0.55) ALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. 2020-02-06 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20080261970-A1 Sufonamides and Uses Thereof ELIXIR PHARMACEUTICALS, INC. (US) 2008-10-23 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 GRM5 132/4885P2RX7 7/4885ALDH1A1 2538/4885
US-20080261970-A1 Sufonamides and Uses Thereof CYP21A2, LPXN, OAT GRM5 4248/4885P2RX7 2191/4885ALDH1A1 569/4885
US-20200039998-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF HNMT, BHMT, EHMT2 GRM5 749/4885P2RX7 4656/4885ALDH1A1 180/4885

“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.