Butane

Butane

SCHEMBL3043111

CCCC.O=C[C@@H]1CCCN1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.34
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ADH1A P07327 2/20 0.31
ADH1C P00326 1/20 0.31
DPP7 Q9UHL4 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
Butane SCHEMBL3415729 1.00 PRCP (0.34) PRCPSLC6A2SLC6A4SLC6A3ADH1A
Ethane SCHEMBL28373914 0.89
SCHEMBL475385 0.89
SCHEMBL80843 0.89
SCHEMBL2267946 0.89
Hydrochloric Acid SCHEMBL28298516 0.86
SCHEMBL28164332 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL3679748 0.81
SCHEMBL4955062 0.81
SCHEMBL348693 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993018045-A1 ANTI-CANCER PYRROLOBENZODIAZEPINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-09-16 WO claimed
US-7704924-B2 Library of compounds comprising pyrrolobenzodiazepine moieties SPIROGEN LIMITED (GB) 2010-04-27 US disclosed
EP-1107969-B1 COLLECTIONS OF COMPOUNDS SPIROGEN LTD (GB) 2008-01-16 EP disclosed
US-20040092736-A1 Collections of compounds SPIROGEN LIMITED 2004-05-13 US disclosed
US-6660856-B2 A group of potent, naturally occurring anti-tumor antibiotics produced by Streptomyces species KAOHSIUNG MEDICAL UNIVERSITY (TW) 2003-12-09 US disclosed
US-20030195196-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-10-16 US disclosed
US-20030187253-A1 SYNTHESIS OF PYRROLO[2,1-C][1,4]BENZODIAZEPINE ANALOGUES KAOHSIUNG MEDICAL UNIVERSITY 2003-10-02 US disclosed
US-6608192-B1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-08-19 US disclosed
EP-1109811-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2003-08-06 EP disclosed
US-6562806-B1 A prodrug may be converted into an antitumour agent under the influence of an enzyme that is linked to a monoclonal antibody so that it can bind to a tumour associated antigen SPIROGEN LIMITED (GB) 2003-05-13 US disclosed
EP-1109811-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
EP-1107969-A2 COLLECTIONS OF COMPOUNDS Spirogen Limited (GB) 2001-06-20 EP disclosed
WO-2000012506-A2 COLLECTIONS OF COMPOUNDS SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012507-A2 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
WO-1993018045-A1 ANTI-CANCER PYRROLOBENZODIAZEPINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-09-16 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 (3 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-20030187253-A1 SYNTHESIS OF PYRROLO[2,1-C][1,4]BENZODIAZEPINE ANALOGUES GABRA4, GABRP, GABRD PRCP 3111/4885SLC6A2 3810/4885SLC6A4 1710/4885
US-20030195196-A1 Pyrrolobenzodiazepines CNR2, CNR1, HRH3 PRCP 1776/4885SLC6A2 255/4885SLC6A4 880/4885
US-20040092736-A1 Collections of compounds CBR3, CYCS, CBR1 PRCP 3790/4885SLC6A2 1243/4885SLC6A4 2430/4885

“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.