SCHEMBL6704645

SCHEMBL6704645

O=C(O)NCCc1ccc(CN2CC=CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MCHR1 Q99705 5/20 0.45
CHRM1 P11229 2/20 0.45
HTR2A P28223 2/20 0.45
CYP2D6 P10635 1/20 0.45
CCR3 P51677 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 1/20 0.41
F13A1 P00488 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CASP1 P29466 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
SCHEMBL1936132 0.84 MCHR1 (0.61) KDM4EALDH1A1MCHR1CHRM1HTR2A
SCHEMBL1936354 0.81 S1PR1 (0.50) KDM4EALDH1A1MCHR1CHRM1HTR2A
SCHEMBL1936302 0.81 S1PR1 (0.50) KDM4EALDH1A1MCHR1CHRM1HTR2A
SCHEMBL6706859 0.81 MCHR1 (0.42) MCHR1CCR3
SCHEMBL1936289 0.79 ALDH1A1 (0.49) KDM4EALDH1A1MCHR1CHRM1HTR2A
SCHEMBL1936178 0.77 S1PR1 (0.46) KDM4EALDH1A1MCHR1S1PR1S1PR5
SCHEMBL16581996 0.77 MC4R (0.50) KDM4EALDH1A1MCHR1CHRM1HTR2A
SCHEMBL1934345 0.77 MC4R (0.50) KDM4EALDH1A1S1PR1S1PR5
SCHEMBL6705771 0.76 MCHR1 (0.62) KDM4EMCHR1CHRM1HTR2ACYP2D6
SCHEMBL6708022 0.75 L3MBTL1 (0.49) KDM4ECYP2D6TAAR1F13A1CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R KDM4E 492/4885ALDH1A1 3363/4885MCHR1 2/4885

“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.