SCHEMBL2798097

SCHEMBL2798097

Cc1ccccc1C1C2CN(CC(C)(C)CO)CC2CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.35
RIPK1 Q13546 3/20 0.34
DRD4 P21917 1/20 0.33
MCHR1 Q99705 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
CCR5 P51681 3/20 0.31
GRIN2B Q13224 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
FKBP1A P62942 1/20 0.31
SCN4A P35499 1/20 0.30

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
SCHEMBL2799706 1.00 HTR4 (0.35) HTR4RIPK1DRD4MCHR1TRPV1
SCHEMBL13200870 0.89 CCR5 (0.38) CCR5GPR119
SCHEMBL13196711 0.89 CCR5 (0.38) CCR5GPR119
SCHEMBL2799651 0.88 SLC18A3 (0.33) RIPK1DRD4MCHR1CCR5
SCHEMBL2801968 0.83 SCN4A (0.43) DRD4GRIN2BKMT2ASCN4A
SCHEMBL13200533 0.80 TACR1 (0.48)
SCHEMBL13200887 0.78 CCR5 (0.36) CCR5MEN1KMT2AGPR119
SCHEMBL13196707 0.78 CCR5 (0.36) CCR5MEN1KMT2AGPR119
SCHEMBL13196697 0.76 JAK2 (0.42) CCR5GRIN2BMAPTGPR119SCN4A
SCHEMBL5746496 0.73 GRIN2B (0.44) GRIN2BALDH1A1TSHRSCN4A

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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS BAO JIANMING 2010-08-05 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-20100197724-A1 6.5 -PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS TACR1, TACR2, HTR1D HTR4 63/4885RIPK1 3115/4885DRD4 288/4885

“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.