SCHEMBL16825906

SCHEMBL16825906

Nc1n[nH]c(N2CCC(C(=O)NCc3ccc(F)c(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.48
▸ LMNA P02545 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.45
▸ FPR3 P25089 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ EPHX2 P34913 5/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL16825698 0.90 LMNA (0.49) LMNATSHRKMT2ARXFP1KDM4E
SCHEMBL18135547 0.87 LMNA (0.51) LMNATSHRKMT2ARXFP1KDM4E
SCHEMBL16825925 0.85 LMNA (0.59) LMNATSHRKDM4EPOLBCYP2C9
SCHEMBL16825795 0.84 TSHR (0.52) LMNATSHRKMT2ARXFP1KDM4E
SCHEMBL16825793 0.84 EPHX2 (0.61) P2RX7EPHX2CYP2C9
SCHEMBL16826303 0.83 MAPT (0.49) LMNATSHRKMT2ARXFP1POLB
SCHEMBL16825843 0.83 ALDH1A1 (0.50) LMNAKMT2ARXFP1POLB
SCHEMBL16825669 0.82 CA12 (0.52) P2RX7LMNAKMT2ARXFP1KDM4E
SCHEMBL16826100 0.81 EPHX2 (0.60) LMNARXFP1EPHX2
SCHEMBL16825712 0.81 LMNA (0.50) LMNARXFP1FPR3FPR2KDM4E

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
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
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 P2RX7 1789/4885LMNA 3856/4885TSHR 3816/4885

“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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