SCHEMBL16826083

SCHEMBL16826083

CC(C)(C)c1ccc(CN2CCN(c3nc(N)n[nH]3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.46
▸ GAA P10253 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ GNRHR P30968 4/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ TACR2 P21452 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL16826194 0.85 ALDH1A1 (0.50) HRH4GAALMNAMEN1KMT2A
SCHEMBL16825972 0.85 LMNA (0.51) GAALMNAMEN1KMT2A
SCHEMBL16825881 0.83 KDM4E (0.52) GAADRD4KCNH2
SCHEMBL16826410 0.82 GAA (0.62) GAADRD4LMNAMEN1KMT2A
SCHEMBL16825870 0.82 ALDH1A1 (0.51) HRH4GAALMNAMEN1KMT2A
SCHEMBL16826336 0.81 TNKS (0.50) GAAMEN1KMT2ACASP1CASP4
SCHEMBL16825853 0.81 TSHR (0.56) GAAMEN1KMT2A
SCHEMBL16825750 0.80 POLB (0.52) LMNAMEN1KMT2A
SCHEMBL16826236 0.80 SIGMAR1 (0.54) HRH4GAALMNA
SCHEMBL16825711 0.80 USP2 (0.47) HRH4GAADRD4KCNH2MEN1

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 7 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
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 HRH4 25/4885GAA 195/4885DRD4 4825/4885

“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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