SCHEMBL1571679

SCHEMBL1571679

Ic1nccnc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
CALM1 P0DP23 1/20 0.44
CCNB2 O95067 2/20 0.40
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
CCNB3 Q8WWL7 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
LIMK2 P53671 1/20 0.40
LTB4R Q15722 2/20 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
SCHEMBL8781507 0.84 CALM1 (0.55) TAAR1CALM1CCNB2CDK1CCNB1
SCHEMBL27462567 0.79 TAAR1 (0.46) TAAR1CALM1LMNACYP2D6LIMK2
SCHEMBL5377610 0.79 KDM4E (0.46) TAAR1CALM1LMNALIMK2LTB4R
SCHEMBL21241147 0.78 MET (0.45) TAAR1CALM1LIMK2LTB4RKDM4E
SCHEMBL935069 0.75 LTB4R (0.47) TAAR1CALM1CYP1A2CYP2D6LIMK2
SCHEMBL12843879 0.75 TP53 (0.46) TAAR1CALM1CCNB2CDK1CCNB1
SCHEMBL19512760 0.73 MET (0.45) TAAR1CALM1LTB4RKDM4EALDH1A1
SCHEMBL30876968 0.73 MET (0.45) TAAR1CALM1LTB4RKDM4EALDH1A1
SCHEMBL1973913 0.73 KDM4E (0.68) TAAR1CALM1KDM4EPARP1ALDH1A1
Hydrochloric Acid SCHEMBL31388648 0.72 KDM4E (0.71) TAAR1CALM1LMNATSHRKDM4E

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
EP-2307337-B1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS UNIV CALIFORNIA (US) 2016-01-13 EP disclosed
US-8674101-B2 Nucleophilic fluorination of aromatic compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-03-18 US disclosed
US-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
EP-2307337-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS The Regents Of The University Of California (US) 2011-04-13 EP disclosed
WO-2010008522-A2 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-21 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-20110178302-A1 NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS SLC18A2, AFF4, SLC6A19 TAAR1 821/4885CALM1 4873/4885CCNB2 1608/4885

“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.