SCHEMBL20004339

SCHEMBL20004339

CC(C)c1ccc(N(CCF)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.50
CNR1 P21554 2/20 0.50
CYP2C19 P33261 1/20 0.49
TSHR P16473 1/20 0.46
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL20004991 0.84 CNR2 (0.50) CNR2CNR1CYP2C19TSHRNR1H2
SCHEMBL22537839 0.82 CYP2C19 (0.73) CNR2CNR1CYP2C19TSHRNR1H2
SCHEMBL10779746 0.76 CYP2C19 (0.63) CNR2CNR1CYP2C19TSHRNR1H2
SCHEMBL5949383 0.76 CYP2C19 (0.63) CNR2CNR1CYP2C19TSHRNR1H2
SCHEMBL21115243 0.75 CYP2C19 (0.45) CNR2CYP2C19TSHRNR1H2NR1H3
SCHEMBL12342177 0.75 CYP2C19 (0.49) CNR2CNR1CYP2C19TSHRNR1H2
SCHEMBL21146854 0.75 ALOX5 (0.39) CYP2C19KDM4EMEN1KMT2A
SCHEMBL10781546 0.73 CYP2C19 (0.59) CNR2CNR1CYP2C19TSHRNR1H2
Hydrochloric Acid SCHEMBL5878006 0.73 TAAR1 (0.56) CNR2CNR1CYP2C19TSHRNR1H2
SCHEMBL4428266 0.72 TSHR (0.70) CNR2CNR1CYP2C19TSHRNR1H2

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
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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 (2 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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT CNR2 840/4885CNR1 930/4885CYP2C19 3826/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT CNR2 1043/4885CNR1 1159/4885CYP2C19 4214/4885

“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.