SCHEMBL16825795

SCHEMBL16825795

Nc1n[nH]c(N2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CCR2 P41597 3/20 0.45
▸ RXFP1 Q9HBX9 4/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL18135566 0.93 TSHR (0.52) TSHRKMT2ARXFP1LMNAMAPT
SCHEMBL16825906 0.84 P2RX7 (0.48) TSHRKMT2ARXFP1LMNAKDM4E
SCHEMBL16825925 0.82 LMNA (0.59) TSHRLMNAKDM4EMAPTTDP1
SCHEMBL16825698 0.82 LMNA (0.49) TSHRKMT2ARXFP1LMNAKDM4E
SCHEMBL16826100 0.82 EPHX2 (0.60) RXFP1LMNATDP1
SCHEMBL16826303 0.81 MAPT (0.49) TSHRKMT2ARXFP1LMNAMAPT
SCHEMBL16825712 0.81 LMNA (0.50) RXFP1LMNAKDM4ETP53TDP1
SCHEMBL18135562 0.81 LMNA (0.63) TSHRRXFP1LMNAKDM4EMAPT
SCHEMBL16825843 0.81 ALDH1A1 (0.50) KMT2ARXFP1LMNAMAPTTDP1
SCHEMBL16825793 0.80 EPHX2 (0.61) —

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-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
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 TSHR 3816/4885KMT2A 1919/4885CCR2 2581/4885

“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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