SCHEMBL6034829

SCHEMBL6034829

Cn1c(=O)[nH]c2ccc(C(=O)CCCCNCCc3ccc(O)cc3Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
MAOB P27338 3/20 0.37
TP53 P04637 1/20 0.36
TRPV1 Q8NER1 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPT P10636 2/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
OPRD1 P41143 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
B3GNT2 Q9NY97 1/20 0.33
LMNA P02545 1/20 0.33
HDAC8 Q9BY41 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
Hydrochloric Acid SCHEMBL4861503 0.99 PGR (0.39) PGRMAOBTP53TRPV1OPRM1
SCHEMBL6034279 0.93 TP53 (0.38) PGRMAOBTP53OPRM1OPRK1
Hydrochloric Acid SCHEMBL4850372 0.92 TP53 (0.37) PGRMAOBTP53OPRM1OPRK1
SCHEMBL6035441 0.89 TP53 (0.44) PGRMAOBTP53OPRM1OPRK1
Hydrochloric Acid SCHEMBL4861258 0.88 TP53 (0.44) PGRMAOBTP53MAPTLMNA
SCHEMBL6035189 0.86 SMN1; SMN2 (0.40) TP53MAPTLMNA
Hydrochloric Acid SCHEMBL4855242 0.85 SMN1; SMN2 (0.39) TP53MAPTLMNA
SCHEMBL6035337 0.81 TP53 (0.47) MAOBTP53MAPTLMNA
Hydrochloric Acid SCHEMBL4855374 0.81 TP53 (0.46) MAOBTP53MAPTLMNA
SCHEMBL4850669 0.79 MAOB (0.35) PGRMAOBB3GNT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US claimed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US claimed
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

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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PGR 4161/4885MAOB 248/4885TP53 4560/4885

“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.