SCHEMBL6494975

SCHEMBL6494975

O=C(Nc1ccccn1)C1C=NC2=C1C(Nc1ccccn1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL27488421 0.72 RAB9A (0.63) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL5139794 0.71 RAB9A (0.65) NPC1RAB9AALDH1A1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL27440821 0.70 RAB9A (0.64) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL1515418 0.69 RAB9A (0.60) GRM1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3671286 0.69 HPGD (0.65) GRM1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30355896 0.69 HPGD (0.65) GRM1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10352329 0.65 MAPT (0.50) GRM1NPC1RAB9AALDH1A1SMN1; SMN2
Maleic Acid SCHEMBL22441962 0.65 RAB9A (0.57) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL9665155 0.65 ALDH1A1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL5851613 0.64 ALDH1A1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2PKM

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-6861529-B2 Cycloalkylpyrrole-3-carboxylic acid amide derivatives and heterocycloalkylpyrrole-3-carboxylic acid amide derivatives that bind with high affinity to the benzodiazepine site of GABA-A (gamma-aminobutyric acid) receptors PFIZER INC (US) 2005-03-01 US claimed
US-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives PFIZER INC. 2003-04-10 US claimed
US-6861529-B2 Cycloalkylpyrrole-3-carboxylic acid amide derivatives and heterocycloalkylpyrrole-3-carboxylic acid amide derivatives that bind with high affinity to the benzodiazepine site of GABA-A (gamma-aminobutyric acid) receptors PFIZER INC (US) 2005-03-01 US disclosed
EP-1404316-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS Pfizer Products Inc. (US) 2004-04-07 EP disclosed
US-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives PFIZER INC. 2003-04-10 US disclosed
WO-2003004018-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2003-01-16 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-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives GABARAP, GABRA3, GABRA2 GRM1 47/4885NPC1 2192/4885RAB9A 2858/4885

“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.