SCHEMBL15007501

SCHEMBL15007501

C[C@H]1C[C@@H](Oc2cc(OCc3ccc4ccccc4c3)ncn2)C[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 9/20 0.66
▸ UBA3 Q8TBC4 9/20 0.66
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR4 Q13639 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MAOA P21397 1/20 0.34

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
SCHEMBL15007500 0.87 NAE1 (0.66) NAE1UBA3CNR1CNR2SLC6A2
SCHEMBL15007407 0.83 NAE1 (0.46) NAE1UBA3SLC6A4
SCHEMBL783945 0.80 NAE1 (1.00) NAE1UBA3
SCHEMBL19185666 0.72 NAE1 (0.73) NAE1UBA3SLC6A2SLC6A4SLC6A3
SCHEMBL15007406 0.70 NAE1 (0.46) NAE1UBA3SLC6A4
SCHEMBL9597999 0.69 ALOX5 (0.46) NAE1UBA3CNR1CNR2SLC6A2
SCHEMBL9598308 0.64 RAB9A (0.48) CNR1CNR2SLC6A2SLC6A4SLC6A3
SCHEMBL783582 0.63 NAE1 (0.75) NAE1UBA3
SCHEMBL9897130 0.62 MAPT (0.46) —
SCHEMBL9897127 0.62 MAPT (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180290983-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-10-11 — — US disclosed
US-9850214-B2 Inhibitors of NEDD8-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-12-26 — — US disclosed
US-9718788-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-20150011572-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 — — US disclosed
US-8809356-B2 Inhibitors of NEDD8-activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-19 — — US disclosed
US-20130150388-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-13 — — 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 (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-20150011572-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885CNR1 3633/4885
US-20180290983-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885CNR1 3633/4885
US-20130150388-A1 INHIBITORS OF NEDD8-ACTIVATING ENZYME NEDD8, NAE1, UBA3 NAE1 2/4885UBA3 3/4885CNR1 3633/4885

“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.

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