SCHEMBL17749035

SCHEMBL17749035

CNC(=O)OC1CCN(c2cc(-n3cccn3)ncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ ABCB1 P08183 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.43
▸ TAF1 P21675 1/20 0.42
▸ CECR2 Q9BXF3 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ KDM6B O15054 3/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19639677 0.81 LMNA (0.42) SMN1; SMN2HRH3SCN9A
SCHEMBL17753933 0.80 SMN1; SMN2 (0.61) SMN1; SMN2HTTABCB1ABCC1ABCG2
Hydrochloric Acid SCHEMBL19639681 0.79 SMN1; SMN2 (0.60) SMN1; SMN2HTTABCB1ABCC1ABCG2
SCHEMBL19658782 0.76 TAF1 (0.54) SMN1; SMN2HTTABCB1ABCC1ABCG2
SCHEMBL19639675 0.76 TAF1 (0.54) SMN1; SMN2HTTABCB1ABCC1ABCG2
SCHEMBL17749034 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HTTABCB1ABCC1ABCG2
SCHEMBL3485939 0.74 GPR119 (0.64) SMN1; SMN2HTT
SCHEMBL19652231 0.74 TAF1 (0.54) SMN1; SMN2HTTABCB1ABCC1ABCG2
SCHEMBL19652270 0.74 TAF1 (0.50) SMN1; SMN2HTTABCB1ABCC1ABCG2
SCHEMBL9520849 0.72 SMN1; SMN2 (0.73) SMN1; SMN2HTTABCB1ABCC1ABCG2

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 832/4885ABCB1 1222/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 SMN1; SMN2 1221/4885HTT 832/4885ABCB1 1222/4885

“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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