SCHEMBL4240678

SCHEMBL4240678

O=C(O)Cc1ccc2c(ccn2CCN2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 2/20 0.50
▸ HTR7 P34969 8/20 0.48
▸ MCHR1 Q99705 2/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ MCHR2 Q969V1 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ RAD52 P43351 1/20 0.43

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
SCHEMBL4238803 0.93 ESRRG (0.48) ESRRGHTR7MCHR1KDM4EALDH1A1
SCHEMBL4233332 0.82 ESRRG (0.60) ESRRGHTR7NOS3NOS1NOS2
SCHEMBL4235481 0.80 DRD2 (0.45) ESRRGMCHR1MCHR2KDM4EALDH1A1
SCHEMBL14594152 0.80 HTR7 (0.66) ESRRGHTR7NOS3NOS1NOS2
SCHEMBL4228624 0.77 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL4236438 0.77 CNR2 (0.48) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL30969220 0.76 ESRRG (0.54) ESRRGHTR7NOS3NOS1NOS2
SCHEMBL23927863 0.75 HTR7 (0.61) ESRRGHTR7NOS3NOS1NOS2
SCHEMBL16705820 0.75 HTR7 (0.63) ESRRGHTR7NOS3NOS1NOS2
SCHEMBL4263907 0.75 HTR7 (0.54) ESRRGHTR7NOS3NOS1NOS2

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 — — 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R ESRRG 957/4885HTR7 144/4885MCHR1 47/4885

“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.

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