SCHEMBL16825654

SCHEMBL16825654

Brc1ccc(OCCN2CC3CNCC3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LTA4H P09960 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ ESR1 P03372 1/20 0.49
▸ ESRRG P62508 1/20 0.49
▸ KDM1A O60341 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HTR1A P08908 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ CHIT1 Q13231 1/20 0.45
▸ CHIA Q9BZP6 1/20 0.45
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL20442499 0.85 ESR1 (0.64) HRH2HRH1HRH3ESR1ESRRG
SCHEMBL6093646 0.82 HRH3 (0.81) HRH2HRH1HRH3ESR1ESRRG
SCHEMBL21674339 0.78 KDM4E (0.54) KDM4ESMN1; SMN2LTA4HPTGS2KDM1A
SCHEMBL17838456 0.77 KDM4E (0.56) KDM4ESMN1; SMN2LTA4HPTGS2ESR1
SCHEMBL10857813 0.76 LTA4H (0.67) HRH2HRH1HRH3KDM4ELTA4H
SCHEMBL229697 0.74 LTA4H (0.90) HRH3KDM4ELTA4HPTGS2TSHR
SCHEMBL16826290 0.73 CHIA (0.54) KDM4ESMN1; SMN2LTA4HPTGS2KDM1A
SCHEMBL5116881 0.72 LTA4H (0.87) HRH3KDM4ELTA4HPTGS2TSHR
SCHEMBL227976 0.72 LTA4H (0.87) HRH3KDM4ELTA4HPTGS2ATM
SCHEMBL227425 0.72 LTA4H (0.87) HRH3KDM4ELTA4HPTGS2ATM

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 HRH2 40/4885HRH1 52/4885HRH3 30/4885

“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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