SCHEMBL10186261

SCHEMBL10186261

OC[C@H](N[C@H]1CCc2ccccc21)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
MAOA P21397 4/20 0.46
MAOB P27338 4/20 0.46
BCHE P06276 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR6 P50406 1/20 0.46
SLC18A3 Q16572 1/20 0.43
KDM1A O60341 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
EPHX2 P34913 2/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40

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
SCHEMBL13164580 0.92 ALDH1A1 (0.51) EPHX2ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL3678496 0.80 PDPK1 (0.57) PDPK1MAOAMAOBBCHEADRA2B
SCHEMBL3678499 0.80 PDPK1 (0.57) PDPK1MAOAMAOBBCHEADRA2B
SCHEMBL5924003 0.75 CA1 (0.52) ACHECA1CA2TAS1R3TAS1R1
SCHEMBL5924000 0.75 CA1 (0.52) ACHECA1CA2TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL11828959 0.74 PDPK1 (0.50) PDPK1MAOAMAOBBCHEADRA2B
Hydrochloric Acid SCHEMBL27504650 0.73 CA1 (0.47) PDPK1MAOAMAOBBCHEADRA2B
SCHEMBL9144137 0.73 PDPK1 (0.65) PDPK1MAOAMAOBBCHEADRA2B
SCHEMBL14438322 0.73 PDPK1 (0.65) PDPK1MAOAMAOBBCHEADRA2B
SCHEMBL14438319 0.73 PDPK1 (0.65) PDPK1MAOAMAOBBCHEADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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 (7 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PDPK1 268/4885MAOA 1195/4885MAOB 1861/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PDPK1 268/4885MAOA 1195/4885MAOB 1861/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PDPK1 268/4885MAOA 1195/4885MAOB 1861/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 PDPK1 268/4885MAOA 1195/4885MAOB 1861/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PDPK1 268/4885MAOA 1195/4885MAOB 1861/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 PDPK1 345/4885MAOA 926/4885MAOB 1508/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PDPK1 268/4885MAOA 1195/4885MAOB 1861/4885

“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.