SCHEMBL16826314

SCHEMBL16826314

Nc1n[nH]c(N2CCC(C(=O)NCc3cccc4ccccc34)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.51
▸ MC4R P32245 2/20 0.46
▸ MC1R Q01726 2/20 0.46
▸ MC3R P41968 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ CYP2C9 P11712 2/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ NQO2 P16083 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL16825929 0.88 KDM4E (0.57) EPHX2KDM4EALDH1A1RXFP1LMNA
SCHEMBL16826017 0.87 KDM4E (0.46) EPHX2P2RX7KDM4EPOLBCYP2C9
SCHEMBL16825684 0.87 KDM4E (0.61) EPHX2KDM4EPOLBCYP2C9ALDH1A1
SCHEMBL16825942 0.84 POLB (0.63) EPHX2POLBCYP2C9ALDH1A1LMNA
SCHEMBL16826303 0.81 MAPT (0.49) POLBALDH1A1RXFP1LMNAMAPT
SCHEMBL16825712 0.81 LMNA (0.50) EPHX2KDM4EPOLBRXFP1LMNA
SCHEMBL16825925 0.81 LMNA (0.59) KDM4EPOLBCYP2C9ALDH1A1LMNA
SCHEMBL18135562 0.81 LMNA (0.63) EPHX2KDM4EPOLBALDH1A1RXFP1
SCHEMBL16825843 0.81 ALDH1A1 (0.50) POLBALDH1A1RXFP1LMNAMAPT
SCHEMBL16825726 0.79 LMNA (0.52) EPHX2KDM4EPOLBCYP2C9RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
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

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 EPHX2 1286/4885MC4R 1089/4885MC1R 1238/4885

“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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