Butane

Butane

SCHEMBL3092282

CCCC.O=P(O)(O)Cc1ccccc1Br

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.49
PGK1 P00558 2/20 0.41
PGK2 P07205 2/20 0.41
RIPK1 Q13546 1/20 0.41
TSHR P16473 3/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
ENPP2 Q13822 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 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
SCHEMBL2420219 0.92 ACP3 (0.55) ACP3PGK1PGK2GRIN2DGRIN3B
Butane SCHEMBL3810051 0.79 TSHR (0.62) ACP3PGK1PGK2TSHRGRIN2D
SCHEMBL14732169 0.79 ACP3 (0.46) ACP3PGK1PGK2RIPK1GRIN2D
SCHEMBL11499183 0.78 ACP3 (0.57) ACP3PGK1PGK2TSHRGRIN2D
SCHEMBL8053801 0.77 ACP3 (0.65) ACP3PGK1PGK2TSHRGRIN2D
SCHEMBL29707862 0.77 ACP3 (0.65) ACP3PGK1PGK2TSHRGRIN2D
SCHEMBL21638770 0.77 ACP3 (0.52) ACP3PGK1PGK2GRIN2DGRIN3B
Butane SCHEMBL11004584 0.75 TSHR (0.47) ACP3TSHRALDH1A1HSD17B10KMT2A
SCHEMBL914880 0.74 ENPP2 (0.50) ACP3PGK1PGK2TSHRGRIN2D
SCHEMBL2008228 0.73 NPSR1 (0.41) RIPK1TSHRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227623-B2 Process for the preparation of asenapine and intermediate products used in said process MSD OSS B.V. (NL) 2012-07-24 US disclosed
US-20100234618-A1 Process for the Preparation of Asenapine and Intermediate Products Used in Said Process N.V. ORGANON (NL) 2010-09-16 US disclosed
US-7750167-B2 Process for the preparation of asenapine and intermediate products used in said process N.V. ORGANON (NL) 2010-07-06 US disclosed
EP-2044076-B1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. ORGANON NV (NL) 2009-10-14 EP disclosed
EP-2044076-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. N.V. Organon (NL) 2009-04-08 EP disclosed
US-20080009619-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS N.V. ORGANON (NL) 2008-01-10 US disclosed
WO-2008003460-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS. N.V. ORGANON (NL) 2008-01-10 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 (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-20080009619-A1 PROCESS FOR THE PREPARATION OF ASENAPINE AND INTERMEDIATE PRODUCTS USED IN SAID PROCESS DHPS, CYP3A5, PNMT ACP3 1479/4885PGK1 2351/4885PGK2 1751/4885
US-20100234618-A1 Process for the Preparation of Asenapine and Intermediate Products Used in Said Process DHPS, CYP3A5, PNMT ACP3 1479/4885PGK1 2351/4885PGK2 1751/4885

“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.