SCHEMBL24775441

SCHEMBL24775441

CN1CCN(C(C)(C)C)C(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
HSP90AA1 P07900 2/20 0.41
RIPK1 Q13546 3/20 0.41
TACR1 P25103 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTR2A P28223 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL21590288 0.85 HDAC1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22473169 0.83 MAOB (0.36) KDM4ECYP2D6SLC6A2SLC6A4
SCHEMBL20993582 0.83 HRH3 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL25530189 0.79 HRH3 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4300077 0.78 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11947314 0.78 RIPK1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24775425 0.78 HTR2A (0.40) HTR2ALMNAKDM4EMEN1USP2
SCHEMBL24775433 0.78 HTR2A (0.40) HTR2ALMNAKDM4EMEN1USP2
SCHEMBL24775424 0.78 HTR2A (0.40) HTR2ALMNAKDM4EMEN1USP2
SCHEMBL31374308 0.77 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 CHRNB2 4503/4885CHRNB4 4860/4885CHRNA3 4851/4885

“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.