SCHEMBL4884994

SCHEMBL4884994

CCC(c1ccccc1)c1ncco1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
S1PR1 P21453 1/20 0.48
CTSA P10619 11/20 0.40
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CNR1 P21554 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SIRT1 Q96EB6 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
SCHEMBL20773298 0.82 TAAR1 (0.52) CTSAHTR2AHRH1CNR1
SCHEMBL20773664 0.81 TAAR1 (0.43) CTSAHTR2AHRH1LMNASLC6A2
SCHEMBL9988345 0.78 CTSA (0.36) CTSASLC6A2SLC6A4CNR1
SCHEMBL6207885 0.77 CTSA (0.39) CTSAHTR2AHRH1CNR1
SCHEMBL9030789 0.76 CTSA (0.46) CTSA
Hydrochloric Acid SCHEMBL6940599 0.76 CHRM2 (0.44) TSHRCTSAHTR2AHRH1LMNA
SCHEMBL20774054 0.74 CTSA (0.38) CTSALMNACNR1
SCHEMBL20773271 0.74 CTSA (0.39) CTSASLC6A2SLC6A4CNR1
SCHEMBL474256 0.74 SMN1; SMN2 (0.48) CTSALMNA
SCHEMBL1803210 0.74 DPP4 (0.38) CTSASLC6A2SLC6A4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-20050137193-A1 Aryl sulfonamides CHEMOCENTREYX 2005-06-23 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 (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-20050137193-A1 Aryl sulfonamides CCR9, CCR1, CCR2 TSHR 1005/4885S1PR1 149/4885CTSA 816/4885

“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.