SCHEMBL17748977

SCHEMBL17748977

NC(=O)OCC1CCN(c2cc(Cl)ncn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ CHEK1 O14757 2/20 0.37
▸ CHEK2 O96017 2/20 0.37
▸ LOXL2 Q9Y4K0 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ SIRT3 Q9NTG7 2/20 0.35
▸ SMO Q99835 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ JMJD6 Q6NYC1 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ KMO O15229 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ MAOB P27338 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
SCHEMBL29283185 0.81 LMNA (0.41) LMNALOXL2GPR119KMO
SCHEMBL17749034 0.79 SMN1; SMN2 (0.52) CHEK1CHEK2LOXL2JAK2JAK3
SCHEMBL12288882 0.79 CYP3A4 (0.51) LMNALOXL2JAK2JAK3
SCHEMBL23025107 0.78 PDE10A (0.40) CHEK1CHEK2
SCHEMBL28684947 0.78 CYP3A4 (0.46) LMNA
SCHEMBL18951798 0.77 HRH4 (0.43) LMNACHEK1CHEK2SMO
SCHEMBL31011744 0.76 SMO (0.55) LMNACHEK1CHEK2LOXL2SMO
SCHEMBL2948496 0.76 MAPK1 (0.41) LMNAGPR119ACACB
SCHEMBL6182350 0.75 MAPT (0.55) LMNA
SCHEMBL5149830 0.75 LMNA (0.58) LMNA

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 LMNA 2473/4885CHEK1 851/4885CHEK2 612/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 LMNA 2473/4885CHEK1 851/4885CHEK2 612/4885

“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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