SCHEMBL2504318

SCHEMBL2504318

O=C(OC(=O)[C@@H]1CCCN1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.48
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ HIF1A Q16665 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ MMP3 P08254 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 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
SCHEMBL11156544 0.80 ELANE (0.40) ELANEKMT2AMEN1RAB9AL3MBTL1
SCHEMBL11161948 0.80 ELANE (0.40) ELANEKMT2AMEN1RAB9AL3MBTL1
SCHEMBL11640746 0.78 KDM4E (0.49) ELANEALDH1A1KDM4ESCN4ALMNA
SCHEMBL383987 0.77 ELANE (0.48) ELANEKMT2AMEN1SCN4AHTR2C
SCHEMBL28789391 0.77 ELANE (0.48) ELANEKMT2AMEN1SCN4AHTR2C
SCHEMBL11158721 0.77 ELANE (0.38) ELANEKMT2AMEN1RAB9AL3MBTL1
SCHEMBL9394978 0.76 MMP3 (0.48) ELANEKMT2AALDH1A1KDM4EGAA
SCHEMBL21385077 0.76 ELANE (0.47) ELANEKMT2AMEN1SCN4AHTR2C
SCHEMBL7410740 0.75 EPHX1 (0.54) ELANEKMT2AMEN1ALDH1A1KDM4E
SCHEMBL137605 0.74 NR4A1 (0.63) KMT2AMEN1RAB9AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653054-B2 2-(N-substituted piperazinyl) steroid derivatives UNIVERSITE LAVAL (CA) 2014-02-18 — — US disclosed
US-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives UNIVERSITE LAVAL (CA) 2011-12-22 — — US disclosed
EP-2373674-A1 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES Université Laval (CA) 2011-10-12 — — EP disclosed
WO-2010060215-A1 2-(N-SUBSTITUTED PIPERAZINYL) STEROID DERIVATIVES UNIVERSITé LAVAL (CA) 2010-06-03 — — 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-20110312926-A1 2-(N-Substituted Piperazinyl) Steroid Derivatives NR5A1, HSD17B11, CYP17A1 ELANE 1707/4885KMT2A 3177/4885MEN1 3323/4885

“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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