SCHEMBL805378

SCHEMBL805378

COc1ccc2c(c1)C(C)C(OC)CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
CYP19A1 P11511 4/20 0.49
CYP11B1 P15538 1/20 0.49
MTNR1A P48039 4/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
CHRNA7 P36544 1/20 0.46
NQO2 P16083 3/20 0.45
MTNR1B P49286 3/20 0.45

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
SCHEMBL15095796 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL6937686 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL783586 0.83 DRD2 (0.53) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL22477091 0.81 HTR2A (0.51) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL12452034 0.80 CYP19A1 (0.46) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL13306294 0.80 HTR2C (0.66) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL13306290 0.80 HTR2C (0.66) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL12593301 0.80 HTR2C (0.66) HTR2AHTR2CHTR2BCYP19A1CYP11B1
SCHEMBL10283375 0.76 DRD2 (0.47) DRD2
SCHEMBL12452014 0.76 DRD2 (0.47) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-9458108-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-11 US disclosed
US-9150525-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-02 US disclosed
US-8901136-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-09 US disclosed
US-8481550-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 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 (5 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-20150183753-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 HTR2A 4536/4885HTR2C 4580/4885HTR2B 4728/4885
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 HTR2A 4536/4885HTR2C 4580/4885HTR2B 4728/4885
US-20140303193-A9 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 HTR2A 4536/4885HTR2C 4580/4885HTR2B 4728/4885
US-20170050935-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 HTR2A 4536/4885HTR2C 4580/4885HTR2B 4728/4885
US-20160039761-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 HTR2A 4536/4885HTR2C 4580/4885HTR2B 4728/4885

“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.