SCHEMBL6418644

SCHEMBL6418644

CCCCN(C(=O)c1cccc2ccccc12)C1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.42
C5AR1 P21730 2/20 0.41
CCR5 P51681 3/20 0.38
SIGMAR1 Q99720 1/20 0.38
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL6418641 0.78 GPR119 (0.46) C5AR1
SCHEMBL4634827 0.76 C5AR1 (0.43) C5AR1CCR5SIGMAR1CNR2UBE2M
SCHEMBL4634472 0.73 SLC6A4 (0.61)
Hydrochloric Acid SCHEMBL4666549 0.72 SLC6A4 (0.60)
SCHEMBL6419540 0.70 SLC6A4 (0.44) PTGDR2
SCHEMBL6418851 0.69 LMNA (0.48) TRPM8UBE2MDCUN1D1
SCHEMBL10724404 0.68 TRPM8 (0.55) TRPM8C5AR1
SCHEMBL2966617 0.68 UBE2M (0.54) UBE2MDCUN1D1
SCHEMBL4965602 0.66 KDM4E (0.43) TRPM8UBE2MDCUN1D1
SCHEMBL6415646 0.66 ALDH1A1 (0.40) TRPM8C5AR1UBE2MDCUN1D1

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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A TRPM8 1237/4885C5AR1 383/4885CCR5 682/4885

“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.