SCHEMBL22505752

SCHEMBL22505752

NNC1CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.37
EPHX2 P34913 9/20 0.36
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
Hydrochloric Acid SCHEMBL1055625 0.98 EPHX1 (0.36) EPHX1EPHX2ALDH1A1THRBATM
Hydrochloric Acid SCHEMBL2640463 0.98 EPHX1 (0.36) EPHX1EPHX2ALDH1A1THRBATM
Propane SCHEMBL27918189 0.90 EPHX2 (0.39) EPHX1EPHX2ALDH1A1THRBATM
SCHEMBL3932214 0.82 KDM1A (0.43) EPHX1EPHX2ALDH1A1THRBATM
SCHEMBL13852062 0.80 EPHX2 (0.56) EPHX1EPHX2
SCHEMBL1308573 0.79 THRB (0.46) EPHX1EPHX2ALDH1A1THRBATM
Hydrochloric Acid SCHEMBL4163207 0.78 EPHX2 (0.55) EPHX1EPHX2
Hydrochloric Acid SCHEMBL30876210 0.78 EPHX2 (0.55) EPHX1EPHX2
SCHEMBL16322031 0.78 EPHX1 (0.42) EPHX1EPHX2ALDH1A1HTT
SCHEMBL12819911 0.77 EPHX1 (0.37) EPHX1EPHX2ALDH1A1THRBATM

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
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
US-10800741-B2 Quinoline compound, preparation method and medical use therefor ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-10-13 US disclosed
CN-107001332-A New piperidine derivative 豪夫迈·罗氏有限公司 2017-08-01 CN 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-10800741-B2 Quinoline compound, preparation method and medical use therefor WEE2, WEE1, HASPIN EPHX1 1886/4885EPHX2 2964/4885ALDH1A1 1958/4885

“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.