SCHEMBL5469467

SCHEMBL5469467

OC(CN1CCC(c2cc[nH]n2)CC1)C1CCN(CCCc2cc(F)cc(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.40
HTR7 P34969 2/20 0.37
HTR2C P28335 1/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRIN2B Q13224 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL5448997 0.78 KMT2A (0.56) HTR2AHTR7DRD2SLC6A4
SCHEMBL14387055 0.76 CCR2 (0.47) CYP2D6
SCHEMBL5350047 0.76 PLD1 (0.33) HTR2AHTR7DRD2CCNT1CDK9
SCHEMBL5350050 0.76 CCR2 (0.47) CYP2D6
SCHEMBL5462799 0.76 OPRL1 (0.36) DRD2DRD4DRD3
SCHEMBL5360848 0.74 SLC18A3 (0.40) DRD2DRD4DRD3
SCHEMBL14386849 0.71 CCR2 (0.43)
SCHEMBL5358734 0.70 CHRM2 (0.32) HTR2ADRD2
SCHEMBL14430067 0.70 CCR2 (0.48)
SCHEMBL14387063 0.67 LMNA (0.48) CYP2D6

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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed

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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 HTR2A 1065/4885HTR7 1934/4885HTR2C 1270/4885

“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.