SCHEMBL22914752

SCHEMBL22914752

CC(=O)N1CC2(C1)CN(c1ccc(C#N)cc1F)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SLC6A9 P48067 13/20 0.45
SLC6A5 Q9Y345 2/20 0.45
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
KCNH2 Q12809 5/20 0.42
CYP2D6 P10635 3/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL22914751 0.83 LMNA (0.64) LMNASLC6A9SLC6A5KCNH2ALDH1A1
SCHEMBL22914750 0.78 CYP2D6 (0.50) CYP1A2TSHRCYP2D6CYP3A4ALDH1A1
SCHEMBL22914756 0.77 ENPP2 (0.45) LMNATSHRALDH1A1
SCHEMBL22919227 0.74 AR (0.44) CYP1A2CYP2D6ALDH1A1
SCHEMBL4147771 0.73 SLC6A9 (0.56) LMNASLC6A9SLC6A5KCNH2ALDH1A1
SCHEMBL22914839 0.71 CYP3A4 (0.55) CYP1A2TSHRKCNH2CYP2D6CYP3A4
SCHEMBL355131 0.70 GPR119 (0.68) SLC6A9SLC6A5KCNH2
SCHEMBL29378266 0.70 GPR119 (0.68) SLC6A9SLC6A5KCNH2
SCHEMBL251355 0.70 SLC6A9 (0.45) LMNASLC6A9SLC6A5KCNH2OPRM1
SCHEMBL248276 0.69 LMNA (0.52) LMNASLC6A9SLC6A5KCNH2

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-20210024492-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-28 US disclosed
US-20210024495-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 LMNA 1587/4885SLC6A9 4834/4885SLC6A5 4156/4885
US-20210024495-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 LMNA 1587/4885SLC6A9 4834/4885SLC6A5 4156/4885
US-20230022770-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 LMNA 1587/4885SLC6A9 4834/4885SLC6A5 4156/4885

“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.