SCHEMBL13404397

SCHEMBL13404397

COc1ccc(-c2ccc(C#N)nc2)cc1COCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.51
GPR119 Q8TDV5 3/20 0.45
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
DGAT2 Q96PD7 1/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
EGLN2 Q96KS0 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL5449734 0.91 TACR1 (0.43) TACR1SLC6A4KCNH2
SCHEMBL13404398 0.88 TACR1 (0.54) TACR1GPR119SLC6A4KCNH2JAK2
SCHEMBL13404393 0.85 TACR1 (0.56) TACR1GPR119DGAT2OPRD1OPRK1
SCHEMBL3601986 0.82 TACR1 (0.48) TACR1SLC6A4KCNH2
SCHEMBL13404386 0.80 TACR1 (0.60) TACR1OPRD1OPRK1PDE4APDE4B
SCHEMBL3590159 0.80 TACR1 (0.60) TACR1SLC6A4KCNH2PDE4APDE4B
SCHEMBL13404349 0.80 TACR1 (0.52) TACR1DGAT2PDE4APDE4BPDE4C
SCHEMBL3586504 0.79 TACR1 (0.50) TACR1SLC6A4KCNH2
SCHEMBL13404384 0.78 TACR1 (0.56) TACR1PDE4APDE4BPDE4CPDE4D
SCHEMBL13404387 0.75 TACR1 (0.52) TACR1PDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383821-B2 NK-1 and serotonin transporter inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-08 US disclosed
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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 (2 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-20100087434-A1 NK-1 and Serotonin Transporter Inhibitors SLC6A4, TPH1, SLC6A2 TACR1 19/4885GPR119 298/4885SLC6A4 1/4885
US-20070249607-A1 NK-1 AND SEROTONIN TRANSPORTER INHIBITORS SLC6A4, TPH1, SLC6A2 TACR1 19/4885GPR119 298/4885SLC6A4 1/4885

“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.