SCHEMBL5369717

SCHEMBL5369717

c1ccc(CN(Cc2ccccc2)c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.60
TSHR P16473 3/20 0.57
CNR2 P34972 5/20 0.52
NR1H2 P55055 4/20 0.49
NR1H3 Q13133 4/20 0.49
TAAR1 Q96RJ0 3/20 0.48
NR3C1 P04150 1/20 0.44
CYP2D6 P10635 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PDE6A P16499 1/20 0.44
ADRA2C P18825 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL7154167 0.92 CYP2C19 (0.69) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL2011193 0.92 CYP2C19 (0.69) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL9320026 0.86 CYP2C19 (0.62) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL2960872 0.85 CYP2C19 (0.78) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL17460822 0.84 TSHR (0.81) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL15159187 0.82 CYP2C19 (0.89) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL43183 0.80 TSHR (0.74) CYP2C19TSHRCNR2NR1H2NR1H3
SCHEMBL23435088 0.80 NR3C2 (0.50) CYP2C19TSHRCNR2TAAR1CYP2D6
SCHEMBL21126417 0.80 TAAR1 (0.53) CYP2C19TSHRCNR2TAAR1CYP2D6
SCHEMBL25823394 0.80 NR3C2 (0.50) CYP2C19TSHRCNR2TAAR1CYP2D6

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-20070249866-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 US disclosed
US-20070249861-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 US disclosed
US-7250532-B2 Method for producing aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2007-07-31 US disclosed
US-20060030736-A1 Method for producing aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2006-02-09 US disclosed
US-20040082813-A1 Method for producting aromatic amino compound IDEMITSU KOSAN CO., LTD. (JP) 2004-04-29 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 (4 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-20070249861-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND SLC7A1, SLC43A1, AHR CYP2C19 670/4885TSHR 1606/4885CNR2 1922/4885
US-20060030736-A1 Method for producing aromatic amino compound SLC7A1, SLC43A1, AHR CYP2C19 626/4885TSHR 1539/4885CNR2 1942/4885
US-20040082813-A1 Method for producting aromatic amino compound ADRM1, SLC7A1, AHR CYP2C19 750/4885TSHR 1054/4885CNR2 1415/4885
US-20070249866-A1 METHOD FOR PRODUCING AROMATIC AMINO COMPOUND SLC7A1, SLC43A1, AHR CYP2C19 670/4885TSHR 1606/4885CNR2 1922/4885

“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.