SCHEMBL17807875

SCHEMBL17807875

C[C@H](COC=O)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.56
▸ BCHE P06276 1/20 0.48
▸ ADH1B P00325 1/20 0.47
▸ ADH1C P00326 1/20 0.47
▸ ADH1A P07327 1/20 0.47
▸ ADH7 P40394 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CASR P41180 1/20 0.40

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
SCHEMBL10696254 0.77 SIGMAR1 (0.61) SIGMAR1BCHEADH1BADH1CADH1A
SCHEMBL9063684 0.77 SIGMAR1 (0.61) SIGMAR1BCHEADH1BADH1CADH1A
SCHEMBL13675822 0.77 SIGMAR1 (0.61) SIGMAR1BCHEADH1BADH1CADH1A
SCHEMBL11254066 0.76 ALDH1A1 (0.50) SIGMAR1BCHEADH1BADH1CADH1A
SCHEMBL2483554 0.76 SIGMAR1 (0.59) SIGMAR1BCHEKMT2AALDH1A1CYP2D6
SCHEMBL3550104 0.76 SIGMAR1 (0.59) SIGMAR1BCHEKMT2AALDH1A1CYP2D6
SCHEMBL27890941 0.76 MAOA (0.61) SIGMAR1BCHEMEN1KMT2AALDH1A1
SCHEMBL29156290 0.75 SIGMAR1 (0.54) SIGMAR1MEN1KMT2AALDH1A1CYP2D6
SCHEMBL29156287 0.75 SIGMAR1 (0.54) SIGMAR1MEN1KMT2AALDH1A1CYP2D6
SCHEMBL11876909 0.75 SIGMAR1 (0.50) SIGMAR1BCHEMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 — — US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 — — US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 — — US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 — — US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 — — 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 (4 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-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 SIGMAR1 4516/4885BCHE 1650/4885ADH1B 4004/4885
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 SIGMAR1 4349/4885BCHE 2342/4885ADH1B 3836/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 SIGMAR1 4349/4885BCHE 2342/4885ADH1B 3836/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 SIGMAR1 4349/4885BCHE 2342/4885ADH1B 3836/4885

“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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