SCHEMBL20986435

SCHEMBL20986435

NC(CNC1CCCN(C(=O)O)C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
Hydrochloric Acid SCHEMBL20986891 0.99 KDM4E (0.48) KDM4EKMT2AMEN1EPHX2CNR1
SCHEMBL28870044 0.78 KDM4E (0.45) KDM4EKMT2AMEN1CNR1CNR2
Hydrochloric Acid SCHEMBL20986640 0.78 CA1 (0.37) KMT2AMEN1LMNACYP1A2CYP2D6
SCHEMBL2241661 0.78 ACHE (0.54) KMT2ANPSR1HPGD
Hydrochloric Acid SCHEMBL20986639 0.78 CA1 (0.37) KMT2AMEN1LMNACYP1A2CYP2D6
SCHEMBL994595 0.78 ACHE (0.54) KMT2ANPSR1HPGD
SCHEMBL2897422 0.77 EPHX1 (0.41) KDM4EKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2899611 0.77 EPHX1 (0.41) KDM4EKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL9350980 0.76 KDM4E (0.59) KDM4EKMT2AMEN1LMNACYP1A2
SCHEMBL5575374 0.76 KDM4E (0.59) KDM4EKMT2AMEN1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2019-05-23 — — 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 (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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE TBXA2R, ADRA2C, ADRB2 KDM4E 2052/4885KMT2A 1550/4885MEN1 4005/4885

“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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