SCHEMBL20012668

SCHEMBL20012668

O=C1[C@@H]2[C@@H](CC(CO)N2Cc2ccccc2)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL22368463 1.00 TSHR (0.39) TSHRHPGDKMT2AMEN1CHRM2
SCHEMBL20012669 1.00 TSHR (0.39) TSHRHPGDKMT2AMEN1CHRM2
SCHEMBL22368468 1.00 TSHR (0.39) TSHRHPGDKMT2AMEN1CHRM2
SCHEMBL22368493 0.75 ALDH1A1 (0.44) TSHRHPGDKMT2AMEN1ALDH1A1
SCHEMBL20012750 0.75 ALDH1A1 (0.44) TSHRHPGDKMT2AMEN1ALDH1A1
SCHEMBL22368490 0.75 ALDH1A1 (0.44) TSHRHPGDKMT2AMEN1ALDH1A1
SCHEMBL21088072 0.75 ALDH1A1 (0.44) TSHRHPGDKMT2AMEN1ALDH1A1
SCHEMBL22368471 0.75 KDM4E (0.45) TSHRHPGDKMT2AMEN1CYP2C19
SCHEMBL19990744 0.75 KDM4E (0.45) TSHRHPGDKMT2AMEN1CYP2C19
SCHEMBL21981530 0.75 KDM4E (0.45) TSHRHPGDKMT2AMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177324-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2019-06-13 — — US disclosed
US-20180086762-A1 BETA-LACTAMASE INHIBITORS NOVARTIS AG (CH) 2018-03-29 — — US 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 (2 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-20190177324-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA TSHR 4526/4885HPGD 1092/4885KMT2A 1342/4885
US-20180086762-A1 BETA-LACTAMASE INHIBITORS MGAM, LCT, GAA TSHR 4526/4885HPGD 1092/4885KMT2A 1342/4885

“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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