SCHEMBL9923328

SCHEMBL9923328

CCC(c1ccccc1Cl)N1CCN(C)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 14/20 0.72
DPP4 P27487 1/20 0.51
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
BCL2 P10415 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL1160038 0.87 DPP4 (0.68) MC4RDPP4HTR1DHTR1BKDM4E
SCHEMBL19634040 0.87 MC4R (0.55) MC4RDPP4KDM4EALDH1A1MAPT
SCHEMBL9918370 0.84 MC4R (0.64) MC4RDPP4HTR1DHTR1BKDM4E
SCHEMBL16509737 0.83 DPP4 (0.75) MC4RDPP4ALDH1A1HTTSLC6A2
SCHEMBL21590184 0.81 MC4R (0.50) MC4RCHRM2ADRA2ACHRM1DRD1
SCHEMBL10623656 0.77 ABCB11 (0.60) MC4RDPP4KDM4EALDH1A1SMN1; SMN2
SCHEMBL14593276 0.76 MC4R (0.69) MC4RHTR1DHTR1BCHRM2HTR1A
SCHEMBL19613515 0.73 MC4R (0.42) MC4RDPP4
SCHEMBL19613514 0.73 MC4R (0.42) MC4RDPP4
SCHEMBL19613518 0.73 MC4R (0.42) MC4RDPP4

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-9776963-B2 Small molecule CD4 mimetics and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-10-03 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 MC4R 2130/4885DPP4 2456/4885HTR1D 4205/4885

“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.