SCHEMBL4858693

SCHEMBL4858693

Cn1c(=O)[nH]c2ccc(C(=O)CCCCN(CCc3ccccc3Cl)C(=O)OC(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HTR4 Q13639 2/20 0.32
B3GNT2 Q9NY97 1/20 0.32
CBX7 O95931 1/20 0.32
CDYL2 Q8N8U2 1/20 0.32
CDYL Q9Y232 1/20 0.32
CDY1; CDY1B Q9Y6F8 1/20 0.32
ABCB11 O95342 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL4855139 0.93 EPHX2 (0.39) MAOBSMN1; SMN2TP53MAPTLMNA
SCHEMBL4850669 0.91 MAOB (0.35) MAOBPGRHDAC1HDAC3HDAC2
SCHEMBL4857775 0.86 POLB (0.40) SMN1; SMN2HTR4ROCK2
SCHEMBL13988031 0.85 MAOB (0.34) MAOBHDAC1HDAC3HDAC2NCOR2
SCHEMBL4856377 0.85 EPHX2 (0.34) MAOBSMN1; SMN2TP53EPHX2PPARG
SCHEMBL4860295 0.82 EPHX2 (0.41) MAOBSMN1; SMN2TP53MAPTLMNA
SCHEMBL4861199 0.80 MCHR1 (0.38) LMNA
SCHEMBL6035441 0.79 TP53 (0.44) MAOBSMN1; SMN2PGRTP53MAPT
SCHEMBL13988033 0.79 HTR6 (0.34) EPHX2PPARGHDAC1HDAC3HDAC2
SCHEMBL4915875 0.79 MCHR1 (0.33) HDAC1HDAC3HDAC2NCOR2HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAOB 248/4885SMN1; SMN2 1472/4885PGR 4161/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAOB 248/4885SMN1; SMN2 1472/4885PGR 4161/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAOB 108/4885SMN1; SMN2 1418/4885PGR 3759/4885

“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.