SCHEMBL7554290

SCHEMBL7554290

Nc1ccc(CN2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](Cc3ccc(Cl)c(Cl)c3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
TACR2 P21452 4/20 0.46
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL7560596 0.88 TACR1 (0.46) TACR1CA1CA2CA4CA9
SCHEMBL7556690 0.88 CCR2 (0.46) TACR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL7555067 0.87 TACR1 (0.46) TACR1CA1CA2CA4CA9
SCHEMBL7553836 0.87 KDM4E (0.51) TACR1CA1CA2CA4CA9
SCHEMBL7554727 0.87 TACR1 (0.46) TACR1TACR2RHOCRHOA
Hydrochloric Acid SCHEMBL7593169 0.86 KDM4E (0.50) TACR1CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL7557120 0.86 TACR1 (0.46) TACR1TACR2RHOCRHOA
Hydrochloric Acid SCHEMBL7473033 0.84 TACR1 (0.51) TACR1RHOCRHOA
SCHEMBL8481079 0.82 TACR1 (0.64) TACR1CA1CA2CA4CA9
SCHEMBL7470172 0.82 TACR1 (0.48) TACR1TACR2RHOCRHOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 US disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 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-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 TACR1 5/4885CA1 2077/4885CA2 1126/4885

“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.