Butane

Butane

SCHEMBL3816274

CCCC.N#CC1(OC(=O)CC(=O)O)CCCCC1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.32
LMNA P02545 1/20 0.32
STS P08842 1/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9765605 0.94 ALDH1A1 (0.33) DPP4LMNASTSBACE1CYP2C19
SCHEMBL3817812 0.85 ALDH1A1 (0.37) DPP4STSBACE1
SCHEMBL9843658 0.82 ALDH1A1 (0.38) DPP4LMNABACE1
SCHEMBL26939298 0.78 CYP2C19 (0.32) LMNACYP2C19
SCHEMBL26939295 0.76
SCHEMBL26939293 0.75 MEN1 (0.32) CYP2C19
SCHEMBL28679791 0.75 ALDH1A1 (0.34) LMNABACE1
SCHEMBL7276909 0.72 ALDH1A1 (0.40) DPP4BACE1KDM4E
SCHEMBL17294422 0.72 OPRM1 (0.32) LMNASTS
SCHEMBL2861221 0.72 ALDH1A1 (0.38) DPP4BACE1

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-7632953-B2 Process for the preparation of gabalactam HIKAL LIMITED (IN) 2009-12-15 US disclosed
EP-1599446-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF GABALACTAM HIKAL LTD (IN) 2009-08-12 EP disclosed
US-20060135789-A1 Process for the preparation of gabalactam HIKAL LIMITED 2006-06-22 US disclosed
EP-1599446-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GABALACTAM Hikal Ltd. (IN) 2005-11-30 EP disclosed
WO-2004046108-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF GABALACTAM HIKAL LTD. (IN) 2004-06-03 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-20060135789-A1 Process for the preparation of gabalactam GABRA5, GABRB1, GABRA6 DPP4 144/4885LMNA 4251/4885STS 1106/4885

“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.