SCHEMBL5131617

SCHEMBL5131617

CC(CCc1ccc(N)nc1)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.58
ATM Q13315 2/20 0.50
GAA P10253 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
OPRK1 P41145 1/20 0.46
KMT2A Q03164 5/20 0.42
KCNH2 Q12809 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPB2 Q96IY4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6471113 0.88 TMEM97 (0.44) BCHEATMGAAKMT2AKCNH2
SCHEMBL6469030 0.88 KCNH2 (0.56) BCHEATMGAAKMT2AKCNH2
SCHEMBL6468992 0.85 MEN1 (0.58) BCHEATMGAAKMT2AMEN1
SCHEMBL5147202 0.85 MEN1 (0.45) BCHEATMKMT2AKCNH2TMEM97
SCHEMBL6471056 0.85 NOS1 (0.46) BCHEKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL5042778 0.84 TMEM97 (0.63) BCHEATMGAAKMT2AKCNH2
SCHEMBL6469203 0.84 BCHE (0.41) BCHEATMGAAOPRK1KMT2A
SCHEMBL5133519 0.82 CPB2 (0.40) BCHESIGMAR1OPRK1KMT2AKCNH2
SCHEMBL6468962 0.82 TMEM97 (0.48) BCHESIGMAR1OPRK1KMT2AKCNH2
SCHEMBL6470737 0.81 EGFR (0.43) BCHEKMT2AKCNH2TMEM97MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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 (1 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA BCHE 32/4885ATM 3665/4885GAA 186/4885

“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.