SCHEMBL24322757

SCHEMBL24322757

O=C(C1CCCCC1)N1[C@@H]2CNC[C@H]1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.48
▸ TSHR P16473 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CHRNB2 P17787 4/20 0.43
▸ CHRNA3 P32297 4/20 0.43
▸ CHRNA4 P43681 4/20 0.43
▸ CHRNB3 Q05901 2/20 0.43
▸ CHRNA6 Q15825 2/20 0.43
▸ CHRNB4 P30926 2/20 0.42
▸ CHRNA7 P36544 2/20 0.42
▸ HSD11B1 P28845 7/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ HSD11B2 P80365 2/20 0.39
▸ SLC6A1 P30531 2/20 0.38
▸ SLC6A11 P48066 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC6A13 Q9NSD5 1/20 0.38
▸ 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
SCHEMBL30359074 1.00 RECQL (0.48) RECQLTSHRALDH1A1CHRNB2CHRNA3
SCHEMBL14211272 0.98 RECQL (0.46) RECQLTSHRALDH1A1CHRNB2CHRNA3
SCHEMBL14120156 0.94 RECQL (0.46) RECQLTSHRALDH1A1CHRNB2CHRNA3
SCHEMBL30359086 0.90 RECQL (0.50) RECQLTSHRALDH1A1CHRNB2CHRNA3
SCHEMBL30359137 0.88 RECQL (0.47) RECQLTSHRALDH1A1CHRNB2CHRNA3
SCHEMBL30359115 0.84 RECQL (0.47) RECQLTSHRALDH1A1CHRNB2CHRNA3
SCHEMBL14211237 0.81 PIK3CD (0.42) RECQLTSHRCHRNB2CHRNA3CHRNA4
SCHEMBL30359032 0.80 RECQL (0.41) RECQLTSHRALDH1A1CHRNB2CHRNA3
SCHEMBL19649734 0.79 CHRNB2 (0.50) RECQLTSHRCHRNB2CHRNA3CHRNA4
SCHEMBL22299286 0.79 CHRNB2 (0.50) RECQLTSHRCHRNB2CHRNA3CHRNA4

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 1902/4885ALDH1A1 4556/4885

“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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