SCHEMBL23344783

SCHEMBL23344783

CC(C)(C)Cc1cccnc1N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
P2RX7 Q99572 3/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 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
SCHEMBL14436539 0.98 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19TSHRKDM4E
SCHEMBL23344647 0.86 CYP1A2 (0.45) CYP1A2CYP2C9P2RX7SCN2ASCN10A
SCHEMBL11859845 0.84 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19TSHRKDM4E
SCHEMBL4305773 0.82 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19TSHRKDM4E
SCHEMBL22400199 0.80 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL14614806 0.79 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19TSHRKDM4E
SCHEMBL13028953 0.79 KDM4E (0.37) CYP1A2TSHRKDM4ELMNAALDH1A1
SCHEMBL326093 0.79 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19TSHRKDM4E
SCHEMBL3063649 0.79 CYP2C19 (0.51) CYP1A2CYP2C9CYP2C19TSHRKDM4E
SCHEMBL13026786 0.78 ADRA2A (0.53) CYP1A2CYP2C9CYP2C19TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 LIEBER INSTITUTE, INC 2021-05-13 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 (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-20210139456-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 SCN8A, SCN5A, SCN2A CYP1A2 3404/4885CYP2C9 4421/4885CYP2C19 4638/4885

“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.