SCHEMBL5075369

SCHEMBL5075369

COC(=O)C1=C(C)NC2=C(C(=O)CN(Cc3ccccc3)C2)C1c1ccc(F)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.53
KCNJ11 Q14654 11/20 0.53
ABCC8 Q09428 9/20 0.53
KCNJ8 Q15842 9/20 0.53
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ABCB1 P08183 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL7943112 0.91 ABCC9 (0.52) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL5074902 0.85 ABCC9 (0.56) ABCC9KCNJ11ABCC8KCNJ8
SCHEMBL11236328 0.84 KDM4E (0.47) NPSR1LMNATSHRALDH1A1HPGD
Hydrochloric Acid SCHEMBL10977751 0.84 ALDH1A1 (0.46) NPSR1LMNATSHRALDH1A1HPGD
SCHEMBL10972608 0.83 HSD17B10 (0.45) NPSR1LMNAALDH1A1HPGDKDM4E
SCHEMBL10978148 0.83 KMT2A (0.53) NPSR1LMNAALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL10978105 0.83 KMT2A (0.52) LMNAPGRCHRM2ABCB1HTR1A
Hydrochloric Acid SCHEMBL10977470 0.83 HSD17B10 (0.44) NPSR1LMNAALDH1A1HPGDKDM4E
SCHEMBL10978053 0.81 ABCB1 (0.64) NPSR1LMNATSHRKDM4ETDP1
SCHEMBL10976629 0.81 ALDH1A1 (0.48) NPSR1LMNATSHRALDH1A1HPGD

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
EP-1124828-B1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LAB (US) 2008-01-02 EP disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 US disclosed
EP-1124828-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-08-22 EP disclosed
WO-2000024743-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2000-05-04 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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 ABCC9 632/4885KCNJ11 4/4885ABCC8 915/4885

“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.