SCHEMBL16826405

SCHEMBL16826405

Nc1n[nH]c(N2CCN(CCCOc3ccccc3)CC2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.59
▸ DRD3 P35462 4/20 0.59
▸ HTR1A P08908 3/20 0.59
▸ HTR2A P28223 3/20 0.59
▸ TMEM97 Q5BJF2 3/20 0.59
▸ SIGMAR1 Q99720 3/20 0.59
▸ HRH1 P35367 3/20 0.59
▸ HRH2 P25021 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL16825679 0.96 HTR1A (0.54) DRD2DRD3HTR1AHTR2ATMEM97
SCHEMBL16825744 0.94 CHIT1 (0.51) DRD2DRD3HTR1AHTR2ATMEM97
SCHEMBL16826407 0.82 SIGMAR1 (0.58) SIGMAR1
SCHEMBL16825773 0.82 SLC6A2 (0.61) DRD2DRD3HRH1HRH3
SCHEMBL18135548 0.81 CHIT1 (0.52) DRD2DRD3HTR1AHRH3
SCHEMBL16825821 0.81 CHIT1 (0.52) DRD2DRD3HTR1AHTR2ATMEM97
SCHEMBL16825681 0.81 CHIT1 (0.52) DRD2DRD3HTR1AHTR2ATMEM97
SCHEMBL16826398 0.81 LTA4H (0.50) DRD2DRD3HTR1AHTR2ASIGMAR1
SCHEMBL16825820 0.81 CHIT1 (0.52) DRD2DRD3
SCHEMBL16826340 0.81 CHIA (0.67) DRD3

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 DRD2 4668/4885DRD3 3478/4885HTR1A 1948/4885

“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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