SCHEMBL7699200

SCHEMBL7699200

OC1CC(Nc2nc3ccccc3[nH]2)C1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ KCNN3 Q9UGI6 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.48

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
SCHEMBL28406604 0.83 HDAC6 (0.57) SMN1; SMN2NPC1RAB9AHDAC6KCNN3
SCHEMBL27898220 0.81 RIPK1 (0.62) SMN1; SMN2NPC1RAB9ALMNAHDAC6
SCHEMBL14155576 0.79 RIPK1 (0.65) SMN1; SMN2NPC1RAB9ALMNAHDAC6
SCHEMBL21432292 0.79 HDAC6 (0.50) SMN1; SMN2NPC1RAB9ALMNAHDAC6
SCHEMBL29502646 0.79 HDAC6 (0.50) SMN1; SMN2NPC1RAB9ALMNAHDAC6
SCHEMBL3546237 0.79 KCNN3 (0.57) SMN1; SMN2NPC1RAB9ALMNAHDAC6
SCHEMBL382481 0.78 JAK1 (0.54) SMN1; SMN2NPC1RAB9AHDAC6KCNN3
SCHEMBL8805952 0.78 HDAC6 (0.51) SMN1; SMN2NPC1RAB9ALMNAHDAC6
Hydrochloric Acid SCHEMBL5007369 0.77 JAK1 (0.53) SMN1; SMN2NPC1RAB9AHDAC6KCNN3
Hydrochloric Acid SCHEMBL8130344 0.77 JAK1 (0.53) SMN1; SMN2NPC1RAB9AHDAC6KCNN3

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-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 — — US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 — — US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 — — US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 — — US disclosed
WO-2011143366-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 — — WO 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 (2 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-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 SMN1; SMN2 3659/4885NPC1 1891/4885RAB9A 217/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A SMN1; SMN2 3817/4885NPC1 2206/4885RAB9A 241/4885

“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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