SCHEMBL16825878

SCHEMBL16825878

CC(C)(C)OC(=O)N1CCN(C(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ENPP2 Q13822 8/20 0.53
▸ KMT2A Q03164 1/20 0.52
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PKM P14618 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL29129106 0.86 RAB9A (0.72) NPC1RAB9ASMN1; SMN2ENPP2KMT2A
SCHEMBL19145333 0.82 KMT2A (0.74) NPC1RAB9ASMN1; SMN2ENPP2KMT2A
SCHEMBL19555415 0.81 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3217834 0.81 ENPP2 (0.59) NPC1RAB9ASMN1; SMN2ENPP2KMT2A
SCHEMBL27087822 0.80 GPR119 (0.54) MAPTALDH1A1LMNA
SCHEMBL1495965 0.80 ENPP2 (0.50) NPC1RAB9AENPP2KMT2ALMNA
SCHEMBL172099 0.80 POLB (0.64) RAB9ASMN1; SMN2ENPP2KMT2AMAPT
SCHEMBL12474488 0.79 MEN1 (0.61) RAB9ASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL28978026 0.79 MAPT (0.67) SMN1; SMN2KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5061387 0.79 SMN1; SMN2 (0.70) NPC1RAB9ASMN1; SMN2ENPP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — 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 (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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC NPC1 1689/4885RAB9A 3798/4885SMN1; SMN2 4335/4885

“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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