SCHEMBL19083789

SCHEMBL19083789

CC1CCN(Cc2cc(Cl)cc(OC(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
ACHE P22303 6/20 0.48
HRH3 Q9Y5N1 2/20 0.48
BCHE P06276 4/20 0.46
BACE1 P56817 4/20 0.46
TEAD1 P28347 2/20 0.42
HTR7 P34969 1/20 0.41
MGLL Q99685 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRCP P42785 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
CXCR3 P49682 1/20 0.40
DDR1 Q08345 1/20 0.40

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
SCHEMBL18908933 0.92 ACHE (0.45) ALDH1A1TSHRACHEHRH3BCHE
SCHEMBL18908857 0.88 ALDH1A1 (0.43) ALDH1A1TSHRACHEHRH3BCHE
SCHEMBL19075549 0.87 ALDH1A1 (0.46) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL18908950 0.86 ACHE (0.46) ALDH1A1TSHRACHEBCHEBACE1
SCHEMBL19084054 0.86 ACHE (0.45) ALDH1A1TSHRACHEHRH3BCHE
SCHEMBL25531028 0.84 ACHE (0.43) ALDH1A1TSHRACHEHRH3BCHE
SCHEMBL15591085 0.83 ALDH1A1 (0.68) ALDH1A1TSHRACHEHRH3BCHE
SCHEMBL18908952 0.82 ACHE (0.62) ALDH1A1ACHEHRH3HTR7L3MBTL1
SCHEMBL19083894 0.81 ACHE (0.50) ALDH1A1ACHEHRH3BCHEBACE1
SCHEMBL23762530 0.80 ALDH1A1 (0.41) ALDH1A1TSHRACHEBCHEBACE1

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
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 ALDH1A1 1155/4885TSHR 475/4885ACHE 1652/4885

“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.