SCHEMBL17749034

SCHEMBL17749034

NC(=O)OCC1CCN(c2cc(-n3cccn3)ncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ TAF1 P21675 1/20 0.41
▸ CECR2 Q9BXF3 1/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ KDM6B O15054 4/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PRCP P42785 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL17748977 0.79 LMNA (0.39) JAK2JAK3CHEK1CHEK2LOXL2
SCHEMBL17749035 0.75 SMN1; SMN2 (0.53) SMN1; SMN2HTTTAF1CECR2BRD9
SCHEMBL19658782 0.73 TAF1 (0.54) SMN1; SMN2HTTTAF1CECR2BRD9
SCHEMBL19639675 0.73 TAF1 (0.54) SMN1; SMN2HTTTAF1CECR2BRD9
SCHEMBL17753933 0.72 SMN1; SMN2 (0.61) SMN1; SMN2HTTTAF1CECR2BRD9
SCHEMBL3485939 0.72 GPR119 (0.64) SMN1; SMN2HTT
SCHEMBL9520849 0.71 SMN1; SMN2 (0.73) SMN1; SMN2HTTABCB1ABCC1ABCG2
SCHEMBL19652231 0.71 TAF1 (0.54) SMN1; SMN2HTTTAF1CECR2BRD9
SCHEMBL19652270 0.71 TAF1 (0.50) SMN1; SMN2HTTTAF1CECR2BRD9
Hydrochloric Acid SCHEMBL19639681 0.71 SMN1; SMN2 (0.60) SMN1; SMN2HTTTAF1CECR2BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
EP-3218376-A1 BROMODOMAIN INHIBITORS AND USES THEREOF Genentech, Inc. (US) 2017-09-20 — — EP disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 SMN1; SMN2 1221/4885HTT 832/4885TAF1 439/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 SMN1; SMN2 1221/4885HTT 832/4885TAF1 439/4885

“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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