SCHEMBL16825973

SCHEMBL16825973

C[C@@H](CN1CCN(c2nc(N)n[nH]2)CC1)Oc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CHIA Q9BZP6 2/20 0.42
▸ CHIT1 Q13231 1/20 0.42
▸ IGF1R P08069 2/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ HSP90AB1 P08238 4/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL16825923 1.00 POLB (0.42) POLBCHIACHIT1IGF1RDRD2
SCHEMBL16825808 1.00 POLB (0.42) POLBCHIACHIT1IGF1RDRD2
SCHEMBL16825915 0.89 SIGMAR1 (0.52) DRD2DRD3LTA4HSIGMAR1MAPT
SCHEMBL16825916 0.89 SIGMAR1 (0.52) DRD2DRD3LTA4HSIGMAR1MAPT
SCHEMBL16825978 0.89 SIGMAR1 (0.52) DRD2DRD3LTA4HSIGMAR1MAPT
Hydrochloric Acid SCHEMBL18129143 0.88 SIGMAR1 (0.54) DRD2DRD3LTA4HSIGMAR1MAPT
Hydrochloric Acid SCHEMBL18129142 0.88 SIGMAR1 (0.54) DRD2DRD3LTA4HSIGMAR1MAPT
SCHEMBL16825880 0.87 CHIA (0.40) POLBCHIACHIT1IGF1RDRD2
SCHEMBL16825645 0.81 ALDH1A1 (0.54) CHIAL3MBTL1SMN1; SMN2LMNAKDM4E
SCHEMBL16846220 0.81 ALDH1A1 (0.54) CHIAL3MBTL1SMN1; SMN2LMNAKDM4E

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 POLB 3344/4885CHIA 2/4885CHIT1 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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