SCHEMBL7238999

SCHEMBL7238999

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNCC1Cc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.46
IDE P14735 1/20 0.45
UBE2N P61088 1/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA9 Q16790 4/20 0.45
MITF O75030 1/20 0.44
TACR3 P29371 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 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
SCHEMBL7823087 0.83 TACR1 (0.66) TACR1IDEUBE2NCA1CA2
SCHEMBL7463845 0.82 TACR1 (0.52) TACR1IDEUBE2NCA1CA2
SCHEMBL7466926 0.82 IDE (0.66) TACR1IDEUBE2NCA1CA2
Hydrochloric Acid SCHEMBL8475576 0.82 TACR1 (0.64) TACR1IDEUBE2NCA1CA2
Hydrochloric Acid SCHEMBL6132890 0.82 TACR1 (0.52) TACR1IDEUBE2NCA1CA2
SCHEMBL6097995 0.81 TACR1 (0.46) TACR1TACR3
SCHEMBL1512947 0.80 TACR1 (0.62) TACR1
SCHEMBL7829090 0.80 TACR1 (0.62) TACR1
SCHEMBL1256779 0.80 TACR1 (0.62) TACR1
SCHEMBL5368900 0.79 L3MBTL1 (0.56) TACR1IDEUBE2NCA1CA2

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-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 US disclosed
EP-0993457-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
WO-1998057954-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-23 WO 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-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 TACR1 1/4885IDE 2657/4885UBE2N 3807/4885

“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.