SCHEMBL6540459

SCHEMBL6540459

Fc1ccc(C(F)(F)F)cc1CN1C[C@@H]2CCCN2[C@H](C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.39
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL7199957 1.00 FFAR1 (0.39) FFAR1KMT2AKDM4EALDH1A1DCUN1D1
SCHEMBL7199952 1.00 FFAR1 (0.39) FFAR1KMT2AKDM4EALDH1A1DCUN1D1
SCHEMBL6540421 0.90 FFAR1 (0.47) FFAR1
SCHEMBL6541058 0.89 FFAR1 (0.44) FFAR1KMT2ADCUN1D1
SCHEMBL7200082 0.89 FFAR1 (0.44) FFAR1KMT2ADCUN1D1
SCHEMBL7200079 0.89 FFAR1 (0.44) FFAR1KMT2ADCUN1D1
Hydrochloric Acid SCHEMBL6540472 0.86 TACR1 (0.47) FFAR1KMT2A
SCHEMBL6541644 0.84 TACR1 (0.44)
Hydrochloric Acid SCHEMBL6541085 0.82 KDM4E (0.51) KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7201320 0.81 TACR1 (0.41)

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 FFAR1 980/4885KMT2A 2124/4885KDM4E 3697/4885

“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.