SCHEMBL24364145

SCHEMBL24364145

Nc1ccc([C@@H]2CCCCN2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.45
CHRNA7 P36544 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
IKBKB O14920 1/20 0.35
PARP1 P09874 3/20 0.34
AURKA O14965 1/20 0.34
CHRM5 P08912 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM1 P11229 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33

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
SCHEMBL13455125 0.95 CHRNB2 (0.44) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL31512120 0.80 CHRNB2 (0.45) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL1927734 0.80 CHRNB2 (0.45) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL27592214 0.77 PARP1 (0.34) PARP1
SCHEMBL2561385 0.76 CHRNB2 (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL2555955 0.76 CHRNB2 (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL23891929 0.76 LTA4H (0.43) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL24366636 0.76 MEN1 (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
SCHEMBL31664272 0.76 LTA4H (0.43) CHRNB2CHRNA4MEN1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL31137500 0.75 LTA4H (0.42) CHRNB2CHRNA4MEN1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 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 (2 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-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CHRNB2 3217/4885CHRNA4 2950/4885MEN1 142/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CHRNB2 3217/4885CHRNA4 2950/4885MEN1 142/4885

“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.