SCHEMBL8424448

SCHEMBL8424448

CN(C)CCc1ccc2[nH]nc(S)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.44
HTR1A P08908 8/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
HTR2C P28335 6/20 0.39
TAAR1 Q96RJ0 5/20 0.39
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
CHRNA7 P36544 1/20 0.38
NTRK1 P04629 1/20 0.38
CDK1 P06493 1/20 0.38
KDR P35968 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH1 P35367 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
SCHEMBL8424733 0.91 PARP1 (0.43) ITKHTR1AHTR1DHTR1BHTR2C
SCHEMBL8424587 0.81 ROCK2 (0.36) NTRK1
SCHEMBL8424226 0.79 MAPT (0.42) HTR2CTAAR1NTRK1ADRA2C
SCHEMBL8423849 0.77 PDE3B (0.41) NTRK1KDR
SCHEMBL8424760 0.77 CYP1A2 (0.41) HTR1AHTR1DHTR1BNTRK1HRH1
SCHEMBL8424751 0.76 PDE3B (0.41) HTR1AHTR1DHTR1BNTRK1
SCHEMBL8424834 0.76 HTR1A (0.41) HTR1AHTR1DHTR1BHRH1
SCHEMBL8239964 0.75 PARP1 (0.44) ITKHTR1AHTR1DHTR1BHTR2C
SCHEMBL8423782 0.73 HRH4 (0.36) HRH3HTR2CNTRK1ADRA2CHRH1
SCHEMBL3531911 0.72 HTR6 (0.44) ITKHTR1AHTR1DHTR1BHTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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 (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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A ITK 3225/4885HTR1A 3/4885HTR1D 12/4885

“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.