SCHEMBL5582835

SCHEMBL5582835

O=C(Nc1ccc2c(c1)CCC(CCN1CCCC1)=C2)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.82
HTR2C P28335 5/20 0.82
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5583091 0.91 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL5582595 0.90 MCHR1 (0.82) MCHR1HTR2C
SCHEMBL5582658 0.90 MCHR1 (1.00) MCHR1HTR2CNPC1TP53NFKB1
SCHEMBL5582560 0.89 MCHR1 (0.98) MCHR1HTR2CNPC1TP53NFKB1
SCHEMBL5582922 0.81 MCHR1 (0.82) MCHR1HTR2CNPC1TP53NFKB1
SCHEMBL5582789 0.81 MCHR1 (0.56) MCHR1HTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL5582944 0.81 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL5582798 0.81 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL5582546 0.81 MCHR1 (0.80) MCHR1HTR2C
Hydrochloric Acid SCHEMBL5583046 0.80 MCHR1 (0.80) MCHR1HTR2C

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-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US claimed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
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

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 MCHR1 2/4885HTR2C 195/4885NPC1 1085/4885

“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.