SCHEMBL13200870

SCHEMBL13200870

Cc1ccccc1C1[C@@H]2CN(CC(C)(C)CO)CC2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.38
NR1I2 O75469 5/20 0.38
GPR119 Q8TDV5 4/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SPR P35270 1/20 0.35
USP30 Q70CQ3 1/20 0.35
TERT O14746 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL13196711 1.00 CCR5 (0.38) CCR5NR1I2GPR119JAK2JAK1
SCHEMBL2799706 0.89 HTR4 (0.35) CCR5GPR119
SCHEMBL2798097 0.89 HTR4 (0.35) CCR5GPR119
SCHEMBL13196707 0.89 CCR5 (0.36) CCR5NR1I2GPR119JAK2JAK1
SCHEMBL13200887 0.89 CCR5 (0.36) CCR5NR1I2GPR119JAK2JAK1
SCHEMBL13196697 0.85 JAK2 (0.42) CCR5NR1I2GPR119JAK2JAK1
SCHEMBL2799651 0.79 SLC18A3 (0.33) CCR5
SCHEMBL13200533 0.77 TACR1 (0.48)
SCHEMBL13196692 0.73 MEN1 (0.39) NR1I2GPR119TERT
SCHEMBL13200865 0.73 MEN1 (0.39) NR1I2GPR119TERT

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 CCR5 276/4885NR1I2 2053/4885GPR119 910/4885

“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.