SCHEMBL6541168

SCHEMBL6541168

COc1ccc(-n2nnnc2C(F)(F)F)cc1CN1CC(C(c2ccccc2)c2ccccc2)N(C)C2CCCCC21

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.51

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
Hydrochloric Acid SCHEMBL6541244 0.86 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL6542065 0.86 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL6541236 0.86 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL7201052 0.86 TACR1 (0.51) TACR1
SCHEMBL6540199 0.85 TACR1 (0.51) TACR1
Hydrochloric Acid SCHEMBL6541209 0.82 TACR1 (0.53) TACR1
Hydrochloric Acid SCHEMBL6541840 0.82 TACR1 (0.53) TACR1
Hydrochloric Acid SCHEMBL6540101 0.82 TACR1 (0.53) TACR1
Hydrochloric Acid SCHEMBL6541042 0.81 TACR1 (0.51) TACR1
SCHEMBL6542103 0.81 TACR1 (0.51) TACR1

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-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

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 3/4885

“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.