SCHEMBL16825916

SCHEMBL16825916

CC(CN1CCN(c2nc(N)n[nH]2)CC1)Oc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.52
▸ DRD2 P14416 3/20 0.47
▸ DRD3 P35462 3/20 0.47
▸ MAPT P10636 2/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ ALPL P05186 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.37

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
SCHEMBL16825915 1.00 SIGMAR1 (0.52) SIGMAR1DRD2DRD3MAPTLTA4H
SCHEMBL16825978 1.00 SIGMAR1 (0.52) SIGMAR1DRD2DRD3MAPTLTA4H
Hydrochloric Acid SCHEMBL18129142 0.99 SIGMAR1 (0.54) SIGMAR1DRD2DRD3MAPTLTA4H
Hydrochloric Acid SCHEMBL18129143 0.99 SIGMAR1 (0.54) SIGMAR1DRD2DRD3MAPTLTA4H
SCHEMBL16825808 0.89 POLB (0.42) SIGMAR1DRD2DRD3MAPTLTA4H
SCHEMBL16825923 0.89 POLB (0.42) SIGMAR1DRD2DRD3MAPTLTA4H
SCHEMBL16825973 0.89 POLB (0.42) SIGMAR1DRD2DRD3MAPTLTA4H
SCHEMBL16825756 0.87 SIGMAR1 (0.37) SIGMAR1DRD2DRD3MAPTKCNH2
Hydrochloric Acid SCHEMBL18129207 0.86 SIGMAR1 (0.39) SIGMAR1DRD2DRD3MAPTKCNH2
SCHEMBL16825799 0.81 KMT2A (0.45) DRD2DRD3MAPTKMT2AALOX15

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-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-07-16 — — 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 (2 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 SIGMAR1 1951/4885DRD2 4668/4885DRD3 3478/4885
US-20150196544-A1 NOVEL BENZO[d][1,3]-DIOXOL DERIVATIVES TPH1, HTR1D, HTR1A SIGMAR1 148/4885DRD2 9/4885DRD3 11/4885

“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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