SCHEMBL5582650

SCHEMBL5582650

O=C(Nc1ccc(CC2CCCN(C(=O)O)C2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 2/20 0.50
MCHR1 Q99705 6/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM2 P08172 1/20 0.47
DEGS1 O15121 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL5582888 0.92 NPC1 (0.47) MCHR1POLBPTPN1
SCHEMBL5582904 0.92 PTPN1 (0.51) MCHR1POLBPTPN1
SCHEMBL5595869 0.86 ACKR3 (0.54) ALDH1A1KDM4EMAPTMCHR1PTPN1
SCHEMBL31324479 0.80 TACR3 (0.62) ALDH1A1LMNAMAPT
SCHEMBL14454829 0.78 NR1H4 (0.54) NR1H4DEGS1PTPN1
SCHEMBL5582918 0.78 HTT (0.49) MAPTNPSR1PTPN1
SCHEMBL5582761 0.78 PTPN1 (0.48) MCHR1PTPN1
Hydrochloric Acid SCHEMBL5582756 0.77 NR1H4 (0.53) NR1H4DEGS1PTPN1
SCHEMBL27177263 0.76 KMT2A (0.53) ALDH1A1KDM4EPOLB
SCHEMBL21713235 0.75 HRH3 (0.57) KDM4ELMNAMAPTDEGS1

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 NR1H4 433/4885ALDH1A1 1784/4885KDM4E 2952/4885

“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.