SCHEMBL18159772

SCHEMBL18159772

N[C@H](CO)c1ccccc1OC(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
ALOX12 P18054 1/20 0.35
NR1I2 O75469 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
Hydrochloric Acid SCHEMBL16796933 0.98 DRD1 (0.37) DRD1KMT2AMEN1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL18151677 0.98 DRD1 (0.37) DRD1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL16796775 0.86 DRD1 (0.36) DRD1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL16796867 0.84 DRD1 (0.36) DRD1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL17574513 0.82 ALDH1A1 (0.40) DRD1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL28205571 0.82 ALDH1A1 (0.40) DRD1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL25284704 0.82 IRAK4 (0.46) ALDH1A1
SCHEMBL16796804 0.80 L3MBTL1 (0.40) KMT2AMEN1RAB9ASMN1; SMN2HTT
SCHEMBL21816493 0.80 DRD1 (0.39) DRD1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL1439383 0.79 AGTR1 (0.49) HTTL3MBTL1TSHRALDH1A1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 DRD1 1282/4885KMT2A 4542/4885MEN1 2587/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 DRD1 1282/4885KMT2A 4542/4885MEN1 2587/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 DRD1 1282/4885KMT2A 4542/4885MEN1 2587/4885

“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.