SCHEMBL29648993

SCHEMBL29648993

c1cc2c(nc1-c1ccc3c(n1)CCCC3)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.50
ADRA2B P18089 5/20 0.50
ADRA2C P18825 5/20 0.50
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PRNP P04156 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3310894 0.83 MEN1 (0.45) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31598494 0.82 MEN1 (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL23457512 0.82 HTR2A (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL10430601 0.80 ADRA2A (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL28701448 0.80 CCNA2 (0.45) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL11641022 0.80 NPC1 (0.48) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3869454 0.80 KMT2A (0.41) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL5101482 0.79 ADRA2A (0.36) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL7438896 0.79 MAOA (0.40) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL11645036 0.78 CDK5 (0.44) ADRA2AADRA2BADRA2CHTR2AHTR2C

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-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2022-05-10 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-11325896-B2 Antagonists of the muscarinic acetylcholine receptor M4 CHRM2, CHRM3, CHRM5 ADRA2A 37/4885ADRA2B 50/4885ADRA2C 29/4885

“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.