SCHEMBL7030630

SCHEMBL7030630

CCN(C(=O)OC)c1ccc(C(CCNC[C@H](O)COc2ccccc2)(Cc2ccccc2)c2ccc(N(CC)C(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ADRB1 P08588 5/20 0.44
ATM Q13315 1/20 0.43
CASR P41180 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADRB3 P13945 4/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB2 P07550 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 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
SCHEMBL7023578 0.93 ADRB1 (0.50) KDM4EALDH1A1ADRB1ATMCASR
SCHEMBL7021520 0.89 ADRB1 (0.47) KDM4EALDH1A1ADRB1ATMCASR
SCHEMBL7023503 0.80 MEN1 (0.64) ADRB1ATMMEN1KMT2AADRB3
SCHEMBL7027570 0.79 ADRB1 (0.56) ADRB1ADRB3ADRB2
SCHEMBL7024944 0.76 ADRB1 (0.50) KDM4EALDH1A1ADRB1ATMCASR
SCHEMBL7024050 0.73 MEN1 (0.61) ADRB1ATMMEN1KMT2AADRB3
SCHEMBL7597017 0.70 MEN1 (0.53) ADRB1MEN1KMT2AADRB3ADRB2
SCHEMBL7030624 0.69 POLB (0.56) ALDH1A1ADRB1MEN1KMT2ACYP1A2
SCHEMBL7024447 0.68 MEN1 (0.67) ADRB1ATMMEN1KMT2AADRB3
SCHEMBL6320450 0.68 CASR (0.58) KDM4EALDH1A1ADRB1ATMCASR

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-20030032834-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-13 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-20030032834-A1 Aminoalcohol derivatives ADRB1, ADRB2, ADRB3 KDM4E 3496/4885ALDH1A1 318/4885ADRB1 1/4885

“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.