SCHEMBL22607008

SCHEMBL22607008

O=C(NCc1nc2ccccc2[nH]1)C1CCN(Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.58
▸ ACHE P22303 2/20 0.58
▸ CYP2D6 P10635 2/20 0.56
▸ DRD2 P14416 2/20 0.51
▸ DRD4 P21917 2/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ HTR1A P08908 1/20 0.48
▸ HTR1B P28222 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ KRAS P01116 1/20 0.48
▸ SOS1 Q07889 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ MTNR1A P48039 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ RAB9A P51151 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
SCHEMBL22607143 0.90 SOS1 (0.52) BCHEACHECYP2D6SOS1
SCHEMBL22607144 0.90 SOS1 (0.53) BCHEACHECYP2D6SOS1
SCHEMBL22606966 0.90 BCHE (0.52) BCHEACHECYP2D6DRD2DRD4
SCHEMBL22606964 0.89 BCHE (0.53) BCHEACHECYP2D6DRD2DRD4
SCHEMBL22606664 0.89 BCHE (0.47) BCHEACHECYP2D6MAPTRAB9A
SCHEMBL22606646 0.88 SOS1 (0.54) BCHEACHECYP2D6DRD2DRD4
SCHEMBL22607141 0.84 SOS1 (0.51) BCHEACHESOS1
SCHEMBL22606679 0.84 HDAC8 (0.49) BCHEACHEDRD4KMT2AMEN1
SCHEMBL22606642 0.83 SOS1 (0.47) BCHEACHECYP2D6SOS1
SCHEMBL22607142 0.82 BCHE (0.56) BCHEACHECYP2D6DRD2DRD4

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-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF ENHANCEDBIO, INC. (KR) 2020-10-29 — — 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-20200339537-A1 NOVEL COMPOUND AS INHIBITOR AGAINST BINDING OF PF34 PROTEIN TO NEDD4-1 PROTEIN AND USE THEREOF NEDD4, PFDN1, PF4 BCHE 4287/4885ACHE 3500/4885CYP2D6 4757/4885

“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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