SCHEMBL22945219

SCHEMBL22945219

O=C(Cl)N1CCCC(c2ccc3c(c2)OC(F)(F)O3)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.50
MGLL Q99685 1/20 0.43
GPR183 P32249 4/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC4 P56524 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
PROKR1 Q8TCW9 3/20 0.41
SCD5 Q86SK9 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 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
SCHEMBL22945216 0.82 PDE4B (0.49) F11MGLLGPR183ALDH1A1SCD5
SCHEMBL23981839 0.81 PDE4B (0.49) F11MGLLGPR183KCNH2HDAC4
SCHEMBL21425080 0.81 F11 (0.53) F11MGLLGPR183KCNH2HDAC4
SCHEMBL23009605 0.81 F11 (0.53) F11MGLLGPR183KCNH2HDAC4
SCHEMBL23009728 0.80 F11 (0.59) F11MGLLGPR183KCNH2HDAC4
SCHEMBL23009606 0.78 F11 (0.59) F11MGLLGPR183KCNH2HDAC4
SCHEMBL21425180 0.76 HRH3 (0.46) ALDH1A1PROKR1
SCHEMBL21425235 0.74 PROKR1 (0.53) ALDH1A1PROKR1SMN1; SMN2
SCHEMBL29575189 0.73 HDAC4 (0.48) F11MGLLGPR183HDAC4RECQL
SCHEMBL18828501 0.73 HDAC4 (0.48) F11MGLLGPR183HDAC4RECQL

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 3 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

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-20210032219-A1 QUATERNARY LACTAM COMPOUND AND PHARMACEUTICAL USE THEREOF F2, PCSK9, F9 F11 15/4885MGLL 2528/4885GPR183 3932/4885
US-11345679-B2 Quaternary lactam compound and pharmaceutical use thereof F2, PCSK9, F9 F11 15/4885MGLL 2528/4885GPR183 3932/4885

“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.