SCHEMBL6541538

SCHEMBL6541538

CN1CCN(Cc2ccccc2OC(F)(F)F)CC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.48
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
EPHX2 P34913 7/20 0.43
MGLL Q99685 1/20 0.43
FFAR1 O14842 1/20 0.42
PDE2A O00408 1/20 0.42
DRD2 P14416 2/20 0.42
SLC6A3 Q01959 2/20 0.42
DPP4 P27487 1/20 0.41

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
SCHEMBL6540941 0.86 TACR1 (0.56) TACR1KCNH2
SCHEMBL6541273 0.85 TACR1 (0.48) TACR1CYP2D6SLC6A2SLC6A4KCNH2
Hydrochloric Acid SCHEMBL6541642 0.85 TACR1 (0.57) TACR1KCNH2
Hydrochloric Acid SCHEMBL6541654 0.85 TACR1 (0.57) TACR1KCNH2
SCHEMBL6541694 0.84 MAPT (0.51) TACR1CYP2D6SLC6A2SLC6A4KCNH2
SCHEMBL6541057 0.83 TACR1 (0.55) TACR1EPHX2
SCHEMBL6540454 0.83 TACR1 (0.72) TACR1
SCHEMBL6541542 0.82 TACR1 (0.43) TACR1DRD2
Hydrochloric Acid SCHEMBL16226620 0.82 TACR1 (0.56) TACR1EPHX2
Hydrochloric Acid SCHEMBL6541315 0.82 TACR1 (0.56) TACR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885CYP2D6 2271/4885SLC6A2 1000/4885

“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.