SCHEMBL5582734

SCHEMBL5582734

O=C(Nc1ccc2c(c1)CCC(CN1CCCC1)=C2)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.67
HTR2C P28335 2/20 0.67
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GLA P06280 1/20 0.50
POLB P06746 1/20 0.49
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
HTR2A P28223 1/20 0.48
PANK3 Q9H999 1/20 0.48

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
SCHEMBL14454802 0.85 MCHR1 (0.65) MCHR1HTR2CMAPTNPC1RAB9A
SCHEMBL5582640 0.84 MCHR1 (0.64) MCHR1HTR2CMAPTNPC1RAB9A
SCHEMBL5582763 0.83 MCHR1 (0.69) MCHR1HTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL5582658 0.81 MCHR1 (1.00) MCHR1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL5582560 0.80 MCHR1 (0.98) MCHR1HTR2CSMN1; SMN2NPC1RAB9A
SCHEMBL5583917 0.77 MCHR1 (0.63) MCHR1HTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL5582579 0.76 MCHR1 (0.65) MCHR1HTR2CMAPTSMN1; SMN2NPC1
SCHEMBL5582566 0.76 MCHR1 (0.65) MCHR1HTR2CMAPTSMN1; SMN2NPC1
SCHEMBL5582536 0.75 MCHR1 (0.64) MCHR1HTR2CMAPT
SCHEMBL5582738 0.75 MCHR1 (0.64) MCHR1HTR2CMAPTSMN1; SMN2NPC1

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-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 195/4885CA12 4089/4885

“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.