SCHEMBL13712515

SCHEMBL13712515

CCc1c[nH]cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.34
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GLRA3 O75311 1/20 0.30
GLRB P48167 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL891294 0.76 ALDH1A1 (0.38) LMNAGLRA3GLRB
SCHEMBL10110584 0.70 GRIN2D (0.38) HSPA5
SCHEMBL1123653 0.70 GRIN2D (0.38) HSPA5
SCHEMBL28268447 0.69 GRIN2D (0.39) LMNAGABRA1GABRB2
SCHEMBL10467212 0.68 LMNA (0.49) HSPA5LMNARECQLGLRA3GLRB
SCHEMBL10119792 0.67 NOTUM (0.37) GABRA1GABRB2
SCHEMBL5960577 0.67 NOTUM (0.42)
SCHEMBL6762874 0.67
SCHEMBL23350141 0.65
SCHEMBL21719440 0.65 SMN1; SMN2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2019-09-19 US disclosed
US-7582753-B2 Process for the preparation of benzotriazepine derivatives JANSSENPHARMACEUTICA, NV (BE) 2009-09-01 US disclosed
US-7524837-B2 Benzotriazapinone salts and methods for using same JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-28 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 (1 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-20190284192-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF MYC, BRD1, BRD3 HSPA5 4489/4885LMNA 2333/4885RECQL 3828/4885

“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.