SCHEMBL21391903

SCHEMBL21391903

O=C(O)N1CCC(c2cc[nH]n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2B P41595 1/20 0.36
MGLL Q99685 1/20 0.35
QDPR P09417 2/20 0.35
PCSK9 Q8NBP7 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BACE1 P56817 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CNR1 P21554 3/20 0.34
HTT P42858 2/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL18866160 0.91 RAB9A (0.38) ALDH1A1HPGDPOLBHTTGAA
SCHEMBL20473440 0.87 L3MBTL3 (0.45) ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL5360848 0.86 SLC18A3 (0.40) ALDH1A1KDM4EHPGDNPSR1HSD17B10
SCHEMBL27148523 0.83 MGLL (0.33) HTR2BMGLL
SCHEMBL21382261 0.82 HTT (0.47) KDM4EHPGDNPSR1HSD17B10MEN1
SCHEMBL30726003 0.80 PDE4B (0.43)
SCHEMBL29774649 0.79 NAMPT (0.40) ALDH1A1KDM4EHPGDNPSR1
SCHEMBL1608843 0.76
SCHEMBL23062943 0.75 CHRNA7 (0.30)
SCHEMBL27628276 0.75 HTT (0.35) ALDH1A1KDM4EHPGDNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-05-11 US disclosed
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 EP disclosed
EP-3953332-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 Therapeutics, Inc. (US) 2022-02-16 EP disclosed
WO-2020210630-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2020-10-15 WO disclosed
US-10428034-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors PFIZER INC. (US) 2019-10-01 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 (3 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-20230148194-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA ALDH1A1 3915/4885KDM4E 1315/4885HPGD 1407/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC ALDH1A1 1432/4885KDM4E 1888/4885HPGD 2925/4885
US-10428034-B2 1,1,1-trifluoro-3-hydroxypropan-2-yl carbamate derivatives and 1,1,1-trifluoro-4-hydroxybutan-2-yl carbamate derivatives as MAGL inhibitors MAG, PYM1, HIF1AN ALDH1A1 471/4885KDM4E 1858/4885HPGD 937/4885

“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.