SCHEMBL16077992

SCHEMBL16077992

CC(C)NC(=O)N1CCCCC1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 1/20 0.56
HPGD P15428 4/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.46
LIPE Q05469 1/20 0.46
HTT P42858 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NAMPT P43490 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
SCHEMBL14291922 0.94 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDGAATSHR
SCHEMBL7107767 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDGAATSHR
SCHEMBL20203666 0.82 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDGAATSHR
SCHEMBL22047940 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDGAATSHR
SCHEMBL11757120 0.80 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDGAATSHR
SCHEMBL7888486 0.79 HPGD (0.58) ALDH1A1HPGDGAASMN1; SMN2POLB
SCHEMBL420108 0.79 HPGD (0.58) ALDH1A1HPGDGAASMN1; SMN2POLB
SCHEMBL14439211 0.79 HPGD (0.58) ALDH1A1HPGDGAASMN1; SMN2POLB
SCHEMBL17323635 0.78 HPGD (0.53) ALDH1A1HSD17B10HPGDGAALIPE
SCHEMBL4546663 0.78 HPGD (0.53) ALDH1A1HSD17B10HPGDGAALIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581576-B1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS FOR USE IN THE TREATMENT OF A PROLIFERATIVE DISEASE IN COMBINATION WITH A JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2022-01-26 EP disclosed
EP-2970282-B1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE HOLDINGS CORP (US) 2019-08-21 EP disclosed
US-20170210754-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE HOLDINGS CORPORATION (US) 2017-07-27 US disclosed
US-9624241-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2017-04-18 US disclosed
US-9227985-B2 Tricyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2016-01-05 US disclosed
US-20140275030-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
WO-2014143768-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2014-09-18 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 (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-20140275030-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 ALDH1A1 4703/4885HSD17B10 2099/4885HPGD 1156/4885
US-20170210754-A1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 ALDH1A1 4703/4885HSD17B10 2099/4885HPGD 1156/4885

“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.