SCHEMBL19084054

SCHEMBL19084054

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
BCHE P06276 3/20 0.44
BACE1 P56817 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MGLL Q99685 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
CXCR3 P49682 1/20 0.40
TEAD1 P28347 2/20 0.40
OPRM1 P35372 1/20 0.40
USP2 O75604 1/20 0.39
EPHX2 P34913 1/20 0.39
HTR7 P34969 1/20 0.39
LIPE Q05469 1/20 0.39

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
SCHEMBL19075811 0.87 BCHE (0.46) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL19083789 0.86 ALDH1A1 (0.48) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL25531028 0.84 ACHE (0.43) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL15591085 0.80 ALDH1A1 (0.68) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL18908933 0.79 ACHE (0.45) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL25541744 0.76 TSHR (0.48) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL22255222 0.75 ALDH1A1 (0.44) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL18908857 0.74 ALDH1A1 (0.43) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL19075549 0.74 ALDH1A1 (0.46) ACHEALDH1A1TSHRBCHEBACE1
SCHEMBL19206095 0.74 DRD4 (0.56) ACHEBCHEBACE1CARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACHE 1652/4885ALDH1A1 1155/4885TSHR 475/4885

“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.