SCHEMBL16825884

SCHEMBL16825884

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CHUK O15111 1/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DRD2 P14416 2/20 0.36
▸ HTR3E A5X5Y0 2/20 0.34

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
SCHEMBL1993550 0.76 HRH4 (0.40) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL16825857 0.76 HTR1A (0.55) CYP2C9DRD3DRD2
SCHEMBL17853464 0.74 CYP1A2 (0.39) KMT2AMEN1CYP2C9CYP2C19ALDH1A1
SCHEMBL16826407 0.74 SIGMAR1 (0.58) —
SCHEMBL16825744 0.73 CHIT1 (0.51) DRD3HTR2ADRD2
SCHEMBL18135535 0.73 HRH4 (0.46) ALDH1A1KDM4EPIM1HTR3A
SCHEMBL16826405 0.72 DRD2 (0.59) DRD3HTR2ADRD2
SCHEMBL16825972 0.72 LMNA (0.51) TSHRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL16826410 0.72 GAA (0.62) TSHRKMT2AMEN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16825844 0.72 HRH4 (0.44) ALDH1A1KDM4EPIM1HTR3ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3816/4885KMT2A 1919/4885MEN1 2231/4885

“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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