SCHEMBL13196697

SCHEMBL13196697

Cc1ccccc1C1C2CN(Cc3ccccc3)C[C@H]2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
CCR5 P51681 3/20 0.41
GPR119 Q8TDV5 2/20 0.40
SCN4A P35499 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
GRIN2B Q13224 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL2801968 0.88 SCN4A (0.43) SCN4APOLBGRIN2B
SCHEMBL13196711 0.85 CCR5 (0.38) JAK2JAK1CCR5GPR119NR1I2
SCHEMBL13200870 0.85 CCR5 (0.38) JAK2JAK1CCR5GPR119NR1I2
SCHEMBL13196693 0.85 CACNA1G (0.43) JAK2JAK1CCR5
SCHEMBL13201163 0.85 CACNA1G (0.43) JAK2JAK1CCR5
SCHEMBL13200887 0.82 CCR5 (0.36) JAK2JAK1CCR5GPR119NR1I2
SCHEMBL13196707 0.82 CCR5 (0.36) JAK2JAK1CCR5GPR119NR1I2
SCHEMBL16064467 0.81 CCR5 (0.52) JAK2JAK1CCR5GPR119TP53
SCHEMBL18495417 0.81 CCR5 (0.52) JAK2JAK1CCR5GPR119TP53
SCHEMBL5746496 0.80 GRIN2B (0.44) SCN4APOLBGRIN2B

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 JAK2 1228/4885JAK1 904/4885CCR5 276/4885

“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.