SCHEMBL16825780

SCHEMBL16825780

Nc1n[nH]c(N2CCN(CCOc3cccc(Cl)c3)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP2D6 P10635 1/20 0.57
▸ SLC6A2 P23975 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ HRH3 Q9Y5N1 6/20 0.50
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTR1A P08908 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ DRD1 P21728 1/20 0.45

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
SCHEMBL16825821 0.86 CHIT1 (0.52) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL16825744 0.86 CHIT1 (0.51) DRD2HTR1A
SCHEMBL16825773 0.84 SLC6A2 (0.61) SLC6A2SLC6A4DRD2HRH3
SCHEMBL16826277 0.83 DRD1 (0.43) LMNAMAPK1HTTSMN1; SMN2SLC6A2
SCHEMBL16826405 0.80 DRD2 (0.59) DRD2HRH3HTR1A
SCHEMBL16825814 0.80 TSHR (0.55) HTTSMN1; SMN2KMT2AMEN1CYP2D6
SCHEMBL16826340 0.79 CHIA (0.67) KMT2ASLC6A2SLC6A4KDM4ETP53
SCHEMBL18135548 0.79 CHIT1 (0.52) LMNAHTTSMN1; SMN2KMT2AMEN1
SCHEMBL16825820 0.79 CHIT1 (0.52) KDM4EDRD2TP53
SCHEMBL16825681 0.79 CHIT1 (0.52) LMNAHTTKMT2AMEN1SLC6A2

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 11 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-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 LMNA 3856/4885MAPK1 2351/4885HTT 4729/4885

“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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