SCHEMBL16825814

SCHEMBL16825814

Nc1n[nH]c(N2CCN(CCOc3ccccc3Cl)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HTR1A P08908 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HTR6 P50406 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KCNA5 P22460 2/20 0.45
▸ DRD1 P21728 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL16826277 0.87 DRD1 (0.43) TSHRHTR1AHTR7DRD2HTR6
SCHEMBL16826406 0.87 NOS3 (0.47) TSHRL3MBTL1HTR1AKMT2ATP53
SCHEMBL16825779 0.86 KDM4E (0.47) CYP1A2CYP2D6CYP2C19HTR1ADRD2
SCHEMBL16826297 0.84 LMNA (0.58) L3MBTL1HTR1AHTR7KMT2AHTT
SCHEMBL16826221 0.83 DRD2 (0.48) CYP1A2CYP2D6CYP2C19HTR1AHTR7
SCHEMBL16825824 0.83 HTR7 (0.48) L3MBTL1HTR1AHTR7DRD2HTR6
SCHEMBL16825744 0.83 CHIT1 (0.51) HTR1ADRD2KCNA5HTR2A
SCHEMBL16825897 0.82 HTR1A (0.53) L3MBTL1HTR1AHTR7DRD2KMT2A
SCHEMBL16825821 0.81 CHIT1 (0.52) TSHRL3MBTL1HTR1ADRD2KMT2A
SCHEMBL16825780 0.80 LMNA (0.64) TSHRCYP2D6HTR1AHTR7DRD2

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 TSHR 3816/4885CYP1A2 569/4885CYP2D6 494/4885

“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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