SCHEMBL16790621

SCHEMBL16790621

Cc1ccc(OC[C@@H](C)CN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.55
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
WDR5 P61964 1/20 0.44
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7090301 0.82 SCN4A (0.54) SCN4AKMT2ACYP1A2SMN1; SMN2
SCHEMBL11920836 0.82 FFAR1 (0.51) USP2TSHRWDR5DRD2DRD4
SCHEMBL10925634 0.82 LMNA (0.59) SCN4ALMNACYP2D6MAOAPTGS1
SCHEMBL5987262 0.80 USP2 (0.45) USP2TSHRWDR5DRD2DRD4
SCHEMBL7015375 0.80 TSHR (0.49) USP2TSHRWDR5DRD2DRD4
SCHEMBL17277599 0.79 SCN4A (0.59) SCN4ADRD2DRD4KMT2AMEN1
SCHEMBL20082442 0.79 SCN4A (0.59) SCN4ADRD2DRD4KMT2AMEN1
SCHEMBL12461736 0.79 MMP2 (0.49) SCN4AKDM4EMAPTCA1CA2
SCHEMBL18295367 0.79 SCN4A (0.52) SCN4AUSP2TSHRWDR5DRD2
SCHEMBL19618912 0.79 SCN4A (0.52) SCN4AUSP2TSHRWDR5DRD2

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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 SCN4A 3814/4885USP2 4706/4885TSHR 762/4885

“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.