SCHEMBL21391935

SCHEMBL21391935

CNC(OP(=O)(O)n1[nH]c(CN2CCO[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)nc1=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.57
TACR3 P29371 2/20 0.57
NR3C1 P04150 1/20 0.57
CYP3A4 P08684 1/20 0.57
FPR1 P21462 1/20 0.57
GPR183 P32249 1/20 0.57
OPRD1 P41143 1/20 0.57
GPR65 Q8IYL9 1/20 0.57
GPR35 Q9HC97 1/20 0.57
TACR2 P21452 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
SCHEMBL156379 0.95 TACR1 (0.59) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL22076806 0.95 TACR1 (0.59) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL1932400 0.91 TACR1 (0.57) TACR1TACR3NR3C1CYP3A4FPR1
SCHEMBL20473749 0.89 TACR1 (0.60) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL17837327 0.89 TACR1 (0.59) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL22076807 0.89 TACR1 (0.59) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL156378 0.89 TACR1 (0.59) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL30861885 0.89 TACR1 (0.59) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL21955651 0.85 TACR1 (0.71) TACR1TACR3NR3C1CYP3A4FPR1
Fosaprepitant SCHEMBL1651366 0.85 TACR1 (0.71) TACR1TACR3NR3C1CYP3A4FPR1

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-10428097-B2 Process for preparation of fosaprepitant dimeglumine and an intermediate thereof Piramal Enterprises Limited (IN) 2019-10-01 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-10428097-B2 Process for preparation of fosaprepitant dimeglumine and an intermediate thereof CMA1, HRH2, KIT TACR1 55/4885TACR3 1005/4885NR3C1 1284/4885

“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.