SCHEMBL4238803

SCHEMBL4238803

O=C(O)Cc1ccc2c(ccn2CCCN2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRG P62508 2/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ HTR6 P50406 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ MCHR1 Q99705 1/20 0.41

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
SCHEMBL4240678 0.93 ESRRG (0.50) ESRRGHTR6MAPTKDM4EALDH1A1
SCHEMBL4235481 0.87 DRD2 (0.45) ESRRGDRD2DRD4DRD3MAPT
SCHEMBL4236255 0.82 ESRRG (0.58) ESRRGDRD2DRD4DRD3HTR6
SCHEMBL4228624 0.81 KDM4E (0.47) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4233332 0.74 ESRRG (0.60) ESRRGHTR6HTR7
SCHEMBL30102639 0.73 CDK4 (0.71) DRD2DRD4DRD3P2RX7HSD17B10
SCHEMBL3989948 0.73 CDK4 (0.71) DRD2DRD4DRD3P2RX7HSD17B10
SCHEMBL27602809 0.72 KDM4E (0.53) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL14594152 0.72 HTR7 (0.66) ESRRGTP53HTR7
SCHEMBL3387602 0.71 HRH3 (0.54) ESRRG

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 957/4885DRD2 337/4885DRD4 423/4885

“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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