SCHEMBL22914756

SCHEMBL22914756

CC(=O)N1CC2(C1)CN(c1ccc(CN)cc1F)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.45
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
RORC P51449 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.35
AOC3 Q16853 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL22914761 0.83 RORC (0.53) ENPP2RORCKMT2AL3MBTL1MAPT
SCHEMBL20345550 0.78 RORC (0.50) ENPP2RORCKMT2AMAPTALDH1A1
SCHEMBL22914752 0.77 LMNA (0.47) ALDH1A1TSHRLMNA
SCHEMBL22919205 0.74 RORC (0.43) RORCALDH1A1HPGDMAPK1CYP2C19
SCHEMBL22914853 0.71 CYP3A4 (0.55) ENPP2RORCKMT2AALDH1A1HPGD
SCHEMBL23544880 0.70 L3MBTL1 (0.54) RORCKMT2AL3MBTL1MAPTALDH1A1
SCHEMBL8257190 0.70 L3MBTL1 (0.51) KMT2AL3MBTL1MAPTALDH1A1HPGD
SCHEMBL4024455 0.70 ALDH1A1 (0.51) KMT2AMAPTALDH1A1HPGDTSHR
SCHEMBL17739365 0.69 HDAC3 (0.37) ENPP2HDAC3HDAC1HDAC2LOXL2
SCHEMBL22914786 0.69 ENPP2 (0.46) ENPP2RORCKMT2AALDH1A1CYP2C19

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-20230022770-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-01-26 US disclosed
US-20210024495-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
US-20210024492-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 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 (3 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-20210024492-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885HDAC3 2135/4885HDAC1 2222/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885HDAC3 2135/4885HDAC1 2222/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 ENPP2 1/4885HDAC3 2135/4885HDAC1 2222/4885

“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.