SCHEMBL13601938

SCHEMBL13601938

CC(C)NCCSc1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
CACNA2D1 P54289 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
FERMT2 Q96AC1 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
HTR1B P28222 2/20 0.38
MAPT P10636 1/20 0.37
NR2E1 Q9Y466 1/20 0.37
NCF1 P14598 1/20 0.37
HRH3 Q9Y5N1 2/20 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
SCHEMBL14641227 0.84 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1BSLC22A12
SCHEMBL8908139 0.77 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BSLC22A12
SCHEMBL2333890 0.77 HTR1A (0.47) HTR1AADRA1DADRA1AADRA1BSLC22A12
SCHEMBL10409372 0.76 HTR1B (0.51) HTR1AADRA1ACACNA2D1HTR1BNR2E1
SCHEMBL12796611 0.75 LOXL2 (0.53) HTR1AADRA1DADRA1AADRA1BSLC22A12
SCHEMBL2816694 0.75 LOXL2 (0.47) HTR1AADRA1DADRA1AADRA1BSLC22A12
Hydrochloric Acid SCHEMBL10411043 0.75 HTR1B (0.50) HTR1AADRA1ACACNA2D1HTR1BMAPT
SCHEMBL22303101 0.72 RXFP1 (0.52) SLC22A12MAPT
SCHEMBL27500715 0.72 LOXL2 (0.53) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL21852297 0.72 NCF1 (0.46) HTR1AADRA1DADRA1AADRA1BSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-7166600-B2 Thiocarbamate inhibitors of alpha-4 integrins GENENTECH, INC. (US) 2007-01-23 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 HTR1A 1068/4885ADRA1D 447/4885ADRA1A 717/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B HTR1A 3580/4885ADRA1D 580/4885ADRA1A 595/4885

“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.