SCHEMBL24154702

SCHEMBL24154702

C1=C(c2ccccc2)CC(c2cccnc2)NC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.51
CHRNA4 P43681 7/20 0.51
CHRNA7 P36544 4/20 0.51
CYP2A6 P11509 3/20 0.51
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP11B2 P19099 1/20 0.38
NPY5R Q15761 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
SCHEMBL24155127 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL30116726 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL28973690 0.99 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL30116762 0.99 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL30116761 0.99 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL24155135 0.93 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL24154370 0.93 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL30116751 0.93 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
SCHEMBL30116728 0.93 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CYP2A6MEN1
Hydrochloric Acid SCHEMBL30116747 0.91 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CYP2A6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2023-07-20 US disclosed
US-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2023-07-20 US disclosed
US-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2023-07-20 US disclosed
CN-115698002-A Compositions and methods for parasite control 菲利普莫里斯生产公司 2023-02-03 CN disclosed
WO-2021260029-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL PHILIP MORRIS PRODUCTS S.A. (CH) 2021-12-30 WO 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-20230225323-A1 COMPOSITIONS AND METHODS FOR PARASITE CONTROL TRHDE, CUTA, PIGS CHRNB2 4302/4885CHRNA4 3979/4885CHRNA7 3165/4885

“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.