SCHEMBL21115243

SCHEMBL21115243

C#Cc1ccc(N(CCF)Cc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
TSHR P16473 4/20 0.42
NR1H2 P55055 4/20 0.41
NR1H3 Q13133 4/20 0.41
CNR2 P34972 1/20 0.39
CYP2D6 P10635 1/20 0.37
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PYCR1 P32322 1/20 0.37
BLM P54132 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPBWR1 P48145 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL22537839 0.79 CYP2C19 (0.73) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL20004339 0.75 CNR2 (0.50) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL20619502 0.71 TSHR (0.53) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL2960872 0.71 CYP2C19 (0.78) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL20004587 0.70 PYCR1 (0.47) TSHRLMNAUSP2CYP3A4MAOA
SCHEMBL20004569 0.69 MAPT (0.44)
SCHEMBL150285 0.69 CYP2C19 (0.58) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL26391988 0.69 MAPT (0.59) CYP2C19TSHRNR1H2NR1H3CNR2
SCHEMBL21115115 0.69 RORC (0.46) TSHRNR1H2NR1H3ALDH1A1KMT2A
SCHEMBL9771097 0.69 TSHR (0.59) CYP2C19TSHRNR1H2NR1H3CNR2

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 5 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
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
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

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 CYP2C19 3826/4885TSHR 4748/4885NR1H2 699/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT CYP2C19 4214/4885TSHR 4738/4885NR1H2 751/4885

“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.