SCHEMBL25652146

SCHEMBL25652146

CCc1ccnc(C)c1CCl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.37
NOS3 P29474 2/20 0.37
TAAR1 Q96RJ0 2/20 0.35
HTR1A P08908 1/20 0.35
CYP2A6 P11509 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NOS1 P29475 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL7117691 0.85 NOS2 (0.45) NOS2NOS3TAAR1HTR1ACYP2A6
Hydrochloric Acid SCHEMBL11412747 0.80 NOS2 (0.37) NOS2NOS3TAAR1HTR1ACYP2A6
SCHEMBL25652166 0.80 PDE3B (0.39) NOS2NOS3TAAR1HTR1APDE3B
SCHEMBL25652149 0.80 KDM4E (0.40) NOS2NOS3TAAR1HTR1ACYP2A6
SCHEMBL11412750 0.79 NOS2 (0.38) NOS2NOS3TAAR1HTR1A
SCHEMBL31214431 0.79 MAOA (0.36)
SCHEMBL5009720 0.77 NOS2 (0.45) NOS2NOS3TAAR1CYP2A6
Hydrochloric Acid SCHEMBL3899633 0.75 NOS2 (0.44) NOS2NOS3TAAR1CYP2A6
SCHEMBL31150927 0.75 LMNA (0.34) NOS2NOS3TAAR1CYP2A6
SCHEMBL21850486 0.74 NOS2 (0.37) NOS2NOS3TAAR1HTR1A

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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD NOS2 1505/4885NOS3 1523/4885TAAR1 2055/4885

“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.