SCHEMBL16825857

SCHEMBL16825857

Nc1n[nH]c(N2CCN(CCc3ccccc3)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ DRD4 P21917 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SIGMAR1 Q99720 4/20 0.50
▸ NOS3 P29474 1/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP4 P49662 1/20 0.50
▸ CASP5 P51878 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL16826407 0.92 SIGMAR1 (0.58) SIGMAR1
SCHEMBL16826410 0.86 GAA (0.62) HTR1ADRD4SIGMAR1CASP1CASP5
SCHEMBL16826398 0.83 LTA4H (0.50) HTR1ADRD2DRD4DRD3SIGMAR1
SCHEMBL16825744 0.80 CHIT1 (0.51) HTR1ADRD2DRD3SIGMAR1
SCHEMBL16826405 0.79 DRD2 (0.59) HTR1ADRD2DRD3SIGMAR1
SCHEMBL16825679 0.78 HTR1A (0.54) HTR1ADRD2DRD3SIGMAR1
SCHEMBL11205135 0.78 HTR1A (0.55) HTR1ADRD2DRD4DRD3SIGMAR1
SCHEMBL16825846 0.75 CHIA (0.69) SIGMAR1SLC6A3
SCHEMBL16826297 0.74 LMNA (0.58) HTR1AMAPT
SCHEMBL14407778 0.74 SLC6A3 (0.83) HTR1ADRD2SIGMAR1MAPTNPSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106659715-A substituted aminotriazoles and methods of use thereof 药物发现研究所 2017-05-10 — — CN claimed
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
CN-106659715-A substituted aminotriazoles and methods of use thereof 药物发现研究所 2017-05-10 — — CN 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 HTR1A 1948/4885DRD2 4668/4885DRD4 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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