SCHEMBL4862180

SCHEMBL4862180

Cn1c(=O)[nH]c2ccc(C(=O)CCCCCl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.44
▸ PGR P06401 3/20 0.43
▸ B3GNT2 Q9NY97 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ PDE2A O00408 4/20 0.38
▸ PDE3B Q13370 4/20 0.38
▸ PDE3A Q14432 4/20 0.38
▸ P2RY12 Q9H244 2/20 0.37
▸ CBX7 O95931 1/20 0.37
▸ CDYL2 Q8N8U2 1/20 0.37
▸ CDYL Q9Y232 1/20 0.37
▸ CDY1; CDY1B Q9Y6F8 1/20 0.37
▸ ADRA2A P08913 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ ADRA2B P18089 2/20 0.37
▸ ADRA2C P18825 2/20 0.37
▸ DRD1 P21728 2/20 0.37
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 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
SCHEMBL4850384 0.90 MAOB (0.42) MAOBLMNAPDE2APDE3BPDE3A
SCHEMBL27611288 0.87 HSD17B3 (0.45) MAOBPGRB3GNT2LMNAKDM4E
SCHEMBL8546016 0.80 LMNA (0.44) MAOBPGRLMNAKDM4EALDH1A1
SCHEMBL30593445 0.80 LMNA (0.46) MAOBPGRB3GNT2LMNACBX7
SCHEMBL21156822 0.80 LMNA (0.46) MAOBPGRB3GNT2LMNACBX7
SCHEMBL4859467 0.79 SMN1; SMN2 (0.55) LMNACYP2D6KDM4EALDH1A1MEN1
SCHEMBL6035441 0.77 TP53 (0.44) MAOBPGRLMNADRD1HIF1A
Hydrochloric Acid SCHEMBL4861258 0.76 TP53 (0.44) MAOBPGRLMNAHIF1AMAPT
SCHEMBL21156818 0.76 LMNA (0.51) MAOBPGRB3GNT2LMNAMEN1
SCHEMBL1759132 0.76 B3GNT2 (0.61) MAOBPGRB3GNT2LMNAKDM4E

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 248/4885PGR 4161/4885B3GNT2 787/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MAOB 248/4885PGR 4161/4885B3GNT2 787/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAOB 108/4885PGR 3759/4885B3GNT2 899/4885

“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.

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