SCHEMBL5420488

SCHEMBL5420488

O=C(CCC(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2)NCCOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
NAMPT P43490 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL5413044 0.91 MCHR1 (0.44) ESR1ESR2KMT2ANPC1RAB9A
SCHEMBL14489944 0.90 SMN1; SMN2 (0.45) HPGDSMN1; SMN2TSHRHSD17B10NAMPT
SCHEMBL5416440 0.84 L3MBTL1 (0.46) TSHRNAMPTMEN1KMT2ALMNA
SCHEMBL5421578 0.84 HRH3 (0.46) HPGDSMN1; SMN2MTNR1AMTNR1BMEN1
SCHEMBL5416308 0.82 ACHE (0.46) HPGDSMN1; SMN2MTNR1AMTNR1BMEN1
SCHEMBL14490002 0.81 MCHR1 (0.45) NAMPTKMT2ANPC1RAB9A
SCHEMBL5418547 0.79 ESR1 (0.50) TSHRESR1ESR2CTNNB1WNT3A
SCHEMBL5419396 0.78 MCHR1 (0.44) ESR1ESR2
SCHEMBL1640514 0.78 ESR1 (0.51) ESR1ESR2CTNNB1WNT3AHDAC6
SCHEMBL4071348 0.75 ESR1 (0.50) HPGDESR1ESR2MEN1KMT2A

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-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-20030158177-A1 Treating or preventing obesity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 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 (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-20030158177-A1 Treating or preventing obesity MCHR1, MC1R, NPY1R HPGD 724/4885SMN1; SMN2 4173/4885TSHR 100/4885

“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.