SCHEMBL1522541

SCHEMBL1522541

O=c1oc(=O)n(C2CCCC2)c2ncccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.43
CRBN Q96SW2 3/20 0.43
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PIK3CA P42336 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
CRHBP P24387 3/20 0.38
CRHR2 Q13324 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CDK4 P11802 1/20 0.38
CDK6 Q00534 1/20 0.38
ELANE P08246 3/20 0.37

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
SCHEMBL1522680 0.99 DDB1 (0.42) DDB1CRBNPDE4BPDE4DALDH1A1
SCHEMBL1522771 0.99 DDB1 (0.42) DDB1CRBNPDE4BPDE4DALDH1A1
SCHEMBL1522242 0.76 OPRL1 (0.43) ALDH1A1KDM4EOPRM1OPRK1OPRL1
SCHEMBL10846917 0.75 NPSR1 (0.51) ALDH1A1KMT2AKDM4EGAAALOX15
SCHEMBL1523280 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EOPRM1OPRK1OPRL1
SCHEMBL1522720 0.74 ENPP2 (0.46) KDM4EOPRM1OPRK1OPRL1TSHR
SCHEMBL1522318 0.73 KDM4E (0.39) DDB1CRBNALDH1A1KDM4EOPRM1
SCHEMBL5871425 0.72 PDE4B (0.42) DDB1CRBNPDE4BPDE4DALDH1A1
SCHEMBL11240235 0.72 FEN1 (0.51) PDE4BPDE4DALDH1A1KMT2AKDM4E
SCHEMBL1522773 0.72 FEN1 (0.55) PDE4BPDE4DALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
US-20040097492-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-20 US disclosed
US-20040087577-A1 Anti-infective agents ABBOTT LABORATORIES 2004-05-06 US 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 (5 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-20040097492-A1 Anti-infective agents POLR1C, RPL5, POLB DDB1 1079/4885CRBN 4386/4885PDE4B 3768/4885
US-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB DDB1 1079/4885CRBN 4386/4885PDE4B 3768/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 DDB1 908/4885CRBN 4629/4885PDE4B 3431/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT DDB1 1722/4885CRBN 4518/4885PDE4B 3133/4885
US-20040087577-A1 Anti-infective agents POLR1C, RPL5, POLB DDB1 1079/4885CRBN 4386/4885PDE4B 3768/4885

“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.