SCHEMBL6497276

SCHEMBL6497276

CN(C)CC1CCC2=C(C(=O)C1)C(C(=O)Nc1ccccn1)C=N2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GRM1 Q13255 1/20 0.36
HPGD P15428 1/20 0.36
NOS2 P35228 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL6494975 0.66 GRM1 (0.41) RAB9ANPC1GRM1
SCHEMBL3671286 0.63 HPGD (0.65) LMNARAB9ANPC1GRM1HPGD
SCHEMBL30355896 0.63 HPGD (0.65) LMNARAB9ANPC1GRM1HPGD
SCHEMBL1515418 0.61 RAB9A (0.60) LMNARAB9ANPC1GRM1HPGD
SCHEMBL27488421 0.61 RAB9A (0.63) RAB9ANPC1HPGDGAA
SCHEMBL10352433 0.61 RAB9A (0.66) POLBLMNARAB9ANPC1HPGD
SCHEMBL1554009 0.60 RAB9A (0.53) POLBLMNARAB9ANPC1HPGD
SCHEMBL1554007 0.60 RAB9A (0.53) POLBLMNARAB9ANPC1HPGD
SCHEMBL5139794 0.60 RAB9A (0.65) LMNARAB9ANPC1HPGD
SCHEMBL30359426 0.60 NPC1 (0.53) LMNARAB9ANPC1KDM4EGAA

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 2 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

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 POLB 4186/4885LMNA 4325/4885RAB9A 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.