SCHEMBL6368485

SCHEMBL6368485

CCOC(=O)CN1CCCOc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 6/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL2060614 0.84 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1HTTLMNA
SCHEMBL23455573 0.83 MAPT (0.45) SMN1; SMN2RAB9AALDH1A1HTTLMNA
SCHEMBL2060680 0.83 CHRNB4 (0.40) ALDH1A1LMNAKMT2AMAPT
SCHEMBL6368673 0.82 HTT (0.44) SMN1; SMN2RAB9AALDH1A1USP2HTT
SCHEMBL27313536 0.80 SMN1; SMN2 (0.44) SMN1; SMN2RAB9AALDH1A1LMNAKMT2A
SCHEMBL10183487 0.77 HTT (0.69) SMN1; SMN2RAB9AALDH1A1USP2HTT
SCHEMBL2060579 0.77 ALDH1A1 (0.46) SMN1; SMN2RAB9AALDH1A1LMNANPC1
SCHEMBL2915985 0.76 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAKMT2AMAPT
SCHEMBL2061015 0.75 CHRNB4 (0.46) SMN1; SMN2RAB9AALDH1A1HTTLMNA
SCHEMBL2060805 0.75 NOTUM (0.48) SMN1; SMN2RAB9AALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal GAMMILL RONALD B (US) 2005-01-27 US disclosed
US-6821977-B2 SUBSTITUTED 1H-(INDOLE-2- CARBOXAMIDES AND 6H-THIENO(2,3-B)PYRROLE-5-CARBOXAMIDES USEFUL FOR INHIBITING GLYCOGEN PHOSPHORYLASE IN A MAMMAL PFIZER, INC. 2004-11-23 US disclosed
US-20030199553-A1 Antidiabetic agents GAMMILL RONALD B (US) 2003-10-23 US disclosed
WO-2003072570-A1 ANTIDIABETIC AGENTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO disclosed
EP-1340500-A1 Antidiabetic agents Pfizer Products Inc. (US) 2003-09-03 EP 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 (2 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-20030199553-A1 Antidiabetic agents GPR119, IRS1, INSR SMN1; SMN2 2393/4885RAB9A 735/4885ALDH1A1 1021/4885
US-20050020661-A1 Substituted 1H-indole-2- carboxamides and 6H-thieno(2,3-b)pyrrole-5-carboxamides useful for inhibiting glycogen phosphorylase in a mammal PYGM, PYGL, IRS1 SMN1; SMN2 3622/4885RAB9A 2493/4885ALDH1A1 2263/4885

“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.