SCHEMBL5582952

SCHEMBL5582952

CC1=C(CN2CCCC2)CCc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)nc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.61
HTR2C P28335 10/20 0.61
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
WNT3A P56704 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
KCNH2 Q12809 1/20 0.44
HTR4 Q13639 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
SCHEMBL5582951 0.93 MCHR1 (0.63) MCHR1HTR2CWNT3ASMN1; SMN2
SCHEMBL5583001 0.92 MCHR1 (0.60) MCHR1HTR2CWNT3A
SCHEMBL5582714 0.90 MCHR1 (0.64) MCHR1HTR2CSMN1; SMN2
SCHEMBL5582521 0.90 MCHR1 (0.64) MCHR1HTR2CWNT3A
SCHEMBL5582779 0.86 MCHR1 (0.56) MCHR1HTR2C
SCHEMBL5582523 0.84 MCHR1 (0.55) MCHR1HTR2CSMN1; SMN2
SCHEMBL5582969 0.82 MCHR1 (0.63) MCHR1HTR2C
SCHEMBL5582944 0.81 MCHR1 (0.81) MCHR1HTR2CPTPN1PTPN6PTPN11
SCHEMBL5582730 0.81 MCHR1 (0.64) MCHR1HTR2CSMN1; SMN2
Hydrochloric Acid SCHEMBL5583046 0.81 MCHR1 (0.80) MCHR1HTR2CPTPN1PTPN6PTPN11

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 195/4885PTPN1 285/4885

“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.