SCHEMBL24322396

SCHEMBL24322396

C[C@@H]1CNC[C@H](C)N1C(=O)C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.69
▸ TSHR P16473 2/20 0.53
▸ GAA P10253 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD11B1 P28845 4/20 0.41
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNA3 P32297 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA7 P36544 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CHRNB3 Q05901 1/20 0.39
▸ CHRNA6 Q15825 1/20 0.39
▸ HSD11B2 P80365 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 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
SCHEMBL27209297 0.90 RECQL (0.53) RECQLTSHRGAACHRNB2CHRNA3
SCHEMBL16468542 0.84 RECQL (0.88) RECQLTSHRGAAALDH1A1HSD11B1
SCHEMBL16468180 0.82 RECQL (1.00) RECQLTSHRGAAALDH1A1HSD11B1
SCHEMBL1515238 0.81 RECQL (0.83) RECQLTSHRGAAALDH1A1HSD11B1
SCHEMBL30359086 0.78 RECQL (0.50) RECQLTSHRGAAALDH1A1HSD11B1
SCHEMBL27209331 0.77 RECQL (0.40) RECQLCHRNB2CHRNA3CHRNA4CHRNB4
SCHEMBL24322757 0.77 RECQL (0.48) RECQLTSHRALDH1A1HSD11B1CHRNB2
SCHEMBL30359074 0.77 RECQL (0.48) RECQLTSHRALDH1A1HSD11B1CHRNB2
SCHEMBL30359137 0.76 RECQL (0.47) RECQLTSHRGAAALDH1A1HSD11B1
SCHEMBL17079072 0.75 RECQL (0.43) RECQLTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 — — 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 (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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN RECQL 2090/4885TSHR 1902/4885GAA 1981/4885

“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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