SCHEMBL16133079

SCHEMBL16133079

CC(C)(C)N1CCN(C(=O)CCN)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.39
▸ GNAI3 P08754 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL19464801 0.86 GNAI3 (0.49) SIGMAR1MEN1KMT2ATDP1LMNA
SCHEMBL16133057 0.84 SIGMAR1 (0.38) SIGMAR1MEN1KMT2ATDP1LMNA
SCHEMBL437880 0.83 — —
SCHEMBL11032090 0.83 LMNA (0.56) SIGMAR1MEN1KMT2ATDP1LMNA
SCHEMBL10131865 0.82 L3MBTL1 (0.46) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL24535326 0.81 ALDH1A1 (0.42) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL13821163 0.81 USP2 (0.42) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL16219373 0.81 ALDH1A1 (0.42) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL12139779 0.79 L3MBTL1 (0.56) MEN1KMT2ATDP1LMNAALDH1A1
SCHEMBL26138716 0.79 ALDH1A1 (0.41) MEN1KMT2ATDP1LMNAALDH1A1

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-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 — — US disclosed
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-9260454-B2 Isothiazolopyridine-2-carboxamides and their use as pharmaceuticals SANOFI (FR) 2016-02-16 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — US disclosed
US-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-10-02 — — 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 (3 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-20140296169-A1 ISOTHIAZOLOPYRIDINE-2-CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TGM2, TGM1, TGM6 SIGMAR1 2841/4885MEN1 4140/4885KMT2A 1803/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF SIGMAR1 2385/4885MEN1 420/4885KMT2A 2722/4885
US-20160024080-A1 NEW COMPOUNDS QSOX1, MAOB, MAOA SIGMAR1 254/4885MEN1 2307/4885KMT2A 4162/4885

“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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