SCHEMBL8049653

SCHEMBL8049653

COc1ccccc1[C@H]1CNC(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.57
PDE4B Q07343 6/20 0.57
PDE4C Q08493 6/20 0.57
PDE4D Q08499 6/20 0.57
MTNR1A P48039 2/20 0.56
HTR2C P28335 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MAP1LC3B Q9GZQ8 1/20 0.50
PKM P14618 1/20 0.49
CYP3A4 P08684 2/20 0.48
KMT2A Q03164 2/20 0.48
VEGFA P15692 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
CREBBP Q92793 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL8045398 1.00 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL8045390 1.00 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL17376052 0.84 HTR2C (0.62) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL6922001 0.83 PKM (0.58) HTR2CL3MBTL1MAP1LC3BPKMCYP3A4
SCHEMBL3546299 0.79 MTNR1A (0.44) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL11707207 0.79 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL3551309 0.79 MTNR1A (0.57) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL11710269 0.78 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL4203743 0.77 MTNR1A (0.52) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL23778829 0.76 MTNR1A (0.51) PDE4APDE4BPDE4CPDE4DMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029983-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-24 US disclosed
US-20180044290-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2018-02-15 US disclosed
US-9822069-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2017-11-21 US disclosed
US-20170066718-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 US disclosed
US-6133275-A ALPHA 1 ADRENORECEPTOR ANTAGONISTS; TREATING BENIGN PROSTATIC HYPERPLASIA AND OTHER UROLOGICAL DISEASES E.G., BLADDER OUTLET OBSTRUCTION), NEUROGENIC BLADDER AND GYNECOLOGICAL SYNDROMES, E.G., DYSMENORRHEA; UTERINE MUSCLE RELAXANTS ABBOTT LABORATORIES (US) 2000-10-17 US disclosed
WO-1999057122-A1 3-PHENYLPYRROLE ALPHA-1 ADRENERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1999-11-11 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-10029983-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, FPR2, FPR3 PDE4A 919/4885PDE4B 1256/4885PDE4C 1451/4885
US-20170066718-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, FPR3 PDE4A 919/4885PDE4B 1256/4885PDE4C 1451/4885
US-20180044290-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, FPR3 PDE4A 919/4885PDE4B 1256/4885PDE4C 1451/4885

“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.