SCHEMBL5582888

SCHEMBL5582888

O=C(Nc1ccc(CC2CCCN(C(=O)O)C2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HSD11B1 P28845 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
PTPN1 P18031 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL5582650 0.92 NR1H4 (0.52) PTPN1POLBMCHR1
SCHEMBL5582904 0.90 PTPN1 (0.51) NPC1RAB9ASIRT2PTPN1POLB
SCHEMBL5582918 0.86 HTT (0.49) SIRT2PTPN1SMN1; SMN2
SCHEMBL31326493 0.84 HSD11B1 (0.49) HSD11B1POLB
SCHEMBL5582907 0.82 ALDH1A1 (0.53) RAB9AHSD11B1POLBMCHR1
SCHEMBL5582931 0.80 HSD11B1 (0.47) HSD11B1POLBMCHR1
SCHEMBL5595869 0.79 ACKR3 (0.54) PTPN1MCHR1
SCHEMBL14454834 0.78
Hydrochloric Acid SCHEMBL5582930 0.77
SCHEMBL2930984 0.77 TACR3 (0.57)

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
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US claimed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 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-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 NPC1 1085/4885RAB9A 1813/4885HSD11B1 105/4885

“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.