SCHEMBL16826112

SCHEMBL16826112

CCC(Oc1ccc(Br)cc1)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ P2RX7 Q99572 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ESRRB O95718 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESRRA P11474 1/20 0.42
▸ ESRRG P62508 1/20 0.42
▸ FPR2 P25090 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ FPR3 P25089 2/20 0.39

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
SCHEMBL16825738 0.88 MEN1 (0.53) MEN1KMT2ATSHRHSD17B10ALDH1A1
SCHEMBL16825643 0.84 ALDH1A1 (0.59) MEN1KMT2ATSHRHSD17B10P2RX7
SCHEMBL16825755 0.84 ALDH1A1 (0.59) MEN1KMT2ATSHRHSD17B10P2RX7
SCHEMBL16846219 0.84 ALDH1A1 (0.59) MEN1KMT2ATSHRHSD17B10P2RX7
SCHEMBL16825861 0.84 TSHR (0.54) MEN1KMT2ATSHRHSD17B10GAA
SCHEMBL16846165 0.81 HRH2 (0.43) KMT2AP2RX7ALDH1A1HTTESRRB
SCHEMBL16826193 0.80 MEN1 (0.48) MEN1KMT2ATSHRHSD17B10GAA
SCHEMBL16846231 0.80 DRD2 (0.53) P2RX7ALDH1A1HTTESRRBESR1
SCHEMBL16846206 0.80 DRD2 (0.53) P2RX7ALDH1A1HTTESRRBESR1
SCHEMBL16825792 0.80 DRD2 (0.53) P2RX7ALDH1A1HTTESRRBESR1

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 MEN1 2231/4885KMT2A 1919/4885TSHR 3816/4885

“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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