SCHEMBL16825756

SCHEMBL16825756

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.37
▸ ALPL P05186 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ KCNH2 Q12809 4/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
Hydrochloric Acid SCHEMBL18129207 0.99 SIGMAR1 (0.39) SIGMAR1ALPLMAPTHRH4KCNH2
SCHEMBL16825880 0.89 CHIA (0.40) MAPTDRD2GAAHTR7HTR2A
SCHEMBL16825915 0.87 SIGMAR1 (0.52) SIGMAR1ALPLMAPTHRH4KCNH2
SCHEMBL16825978 0.87 SIGMAR1 (0.52) SIGMAR1ALPLMAPTHRH4KCNH2
SCHEMBL16825916 0.87 SIGMAR1 (0.52) SIGMAR1ALPLMAPTHRH4KCNH2
Hydrochloric Acid SCHEMBL18129143 0.86 SIGMAR1 (0.54) SIGMAR1ALPLMAPTKCNH2DRD2
Hydrochloric Acid SCHEMBL18129142 0.86 SIGMAR1 (0.54) SIGMAR1ALPLMAPTKCNH2DRD2
SCHEMBL16825851 0.80 ALPL (0.34) ALPLMAPTHRH4KCNH2DRD2
SCHEMBL16826074 0.79 TSHR (0.48) DRD2DRD3KMT2ANPC1CYP1A2
SCHEMBL16825821 0.76 CHIT1 (0.52) SIGMAR1MAPTDRD2DRD3GAA

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 SIGMAR1 1951/4885ALPL 478/4885MAPT 2060/4885

“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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