SCHEMBL17428664

SCHEMBL17428664

CC1CCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.46
ACHE P22303 3/20 0.46
HRH3 Q9Y5N1 2/20 0.45
SCN1A P35498 1/20 0.45
SCN4A P35499 1/20 0.45
SCN7A Q01118 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
SCN8A Q9UQD0 1/20 0.45
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
FFAR1 O14842 1/20 0.44
ACKR3 P25106 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL19075619 0.85 SLC6A2 (0.47) DCUN1D1SCN1ASCN4ASCN7ASCN5A
SCHEMBL19083786 0.84 ACHE (0.47) DCUN1D1ACHEHRH3KMT2ACNR2
SCHEMBL4236352 0.84 ALDH1A1 (0.58) KMT2AKDM4EALDH1A1TSHRTRAP1
SCHEMBL4235827 0.82 ALDH1A1 (0.61) HRH3KMT2AKDM4EALDH1A1TSHR
SCHEMBL18908954 0.82 SCN9A (0.43) DCUN1D1ACHEHRH3SCN1ASCN4A
SCHEMBL4242830 0.80 CYP2A13 (0.56) SCN9AKDM4EALDH1A1LMNA
SCHEMBL19083727 0.80 OPRL1 (0.46) SCN1ASCN4ASCN7ASCN5ASCN9A
SCHEMBL14242820 0.79 HRH3 (0.67) ACHEHRH3KDM4EALDH1A1
SCHEMBL20697775 0.78 OPRL1 (0.46) DCUN1D1SCN1ASCN4ASCN7ASCN5A
Ammonia Solution, Strong SCHEMBL28813879 0.78 HRH3 (0.65) ACHEHRH3KDM4EALDH1A1

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
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
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 US disclosed
WO-2016007534-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 DCUN1D1 3112/4885ACHE 1652/4885HRH3 1260/4885

“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.