SCHEMBL21138878

SCHEMBL21138878

O=C(Cl)N1CCCC(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HSD11B1 P28845 4/20 0.59
LMNA P02545 3/20 0.57
HPGD P15428 2/20 0.57
HIF1A Q16665 1/20 0.57
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 3/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
ATM Q13315 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PROKR1 Q8TCW9 1/20 0.51
DRD2 P14416 1/20 0.50
DRD1 P21728 1/20 0.50

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
SCHEMBL21424973 1.00 ALDH1A1 (0.59) ALDH1A1HSD11B1LMNAHPGDHIF1A
SCHEMBL21425067 1.00 ALDH1A1 (0.59) ALDH1A1HSD11B1LMNAHPGDHIF1A
SCHEMBL20139653 0.92 RAB9A (0.63) ALDH1A1HSD11B1LMNAHPGDNPC1
SCHEMBL17891160 0.92 RAB9A (0.63) ALDH1A1HSD11B1LMNAHPGDNPC1
SCHEMBL21425271 0.91 ALDH1A1 (0.51) ALDH1A1HSD11B1LMNAHPGDHIF1A
SCHEMBL21425188 0.87 HSD11B1 (0.48) ALDH1A1HSD11B1LMNAHPGDHIF1A
SCHEMBL21425278 0.87 PARP14 (0.57) ALDH1A1HSD11B1LMNAHPGDHIF1A
SCHEMBL3312540 0.86 ALDH1A1 (0.62) ALDH1A1HSD11B1LMNAHPGDHIF1A
SCHEMBL27878990 0.86 ALDH1A1 (0.62) ALDH1A1HSD11B1LMNAHPGDHIF1A
SCHEMBL21424990 0.85 PROKR1 (0.60) HSD11B1LMNANPC1RAB9ASMN1; SMN2

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-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2022-05-31 US disclosed
EP-3778588-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2021-02-17 EP disclosed
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO., LTD. (CN) 2021-02-04 US disclosed
WO-2019185046-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF 上海美悦生物科技发展有限公司 2019-10-03 WO disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A ALDH1A1 1644/4885HSD11B1 478/4885LMNA 2370/4885
US-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF F2, PCSK9, F9 ALDH1A1 1831/4885HSD11B1 1106/4885LMNA 2545/4885
US-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof F2, PCSK9, F9 ALDH1A1 1831/4885HSD11B1 1106/4885LMNA 2545/4885

“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.