SCHEMBL22849809

SCHEMBL22849809

CC(=O)N1CCCC(C)C(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 2/20 0.38
EPHX1 P07099 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
HTR2A P28223 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL18557206 1.00 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL17643421 0.87 EPHX2 (0.40) ALDH1A1EPHX2EPHX1CHRNB2CHRNA3
SCHEMBL6631486 0.87 EPHX2 (0.40) ALDH1A1EPHX2EPHX1CHRNB2CHRNA3
SCHEMBL478665 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL12136815 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL4309663 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL6631511 0.79 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25010712 0.79 DPP4 (0.42) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL21938965 0.79 DPP4 (0.42) ALDH1A1LMNAMAPK1MAPTMEN1
SCHEMBL2760455 0.79 DPP4 (0.42) ALDH1A1LMNAMAPK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11464780-B2 Pyrazolopyrimidine derivative and use thereof SIMCERE PHARMACEUTICAL CO. LTD. (CN) 2022-10-11 US disclosed
US-20200405725-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2020-12-31 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-20200405725-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF TPMT, VHL, GOT2 ALDH1A1 1254/4885LMNA 3027/4885MAPK1 2338/4885
US-11464780-B2 Pyrazolopyrimidine derivative and use thereof TPMT, VHL, GOT2 ALDH1A1 1254/4885LMNA 3027/4885MAPK1 2338/4885

“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.