SCHEMBL5511404

SCHEMBL5511404

Cc1ccc(CC(C)(C)N)cc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2B P41595 2/20 0.52
SLC6A4 P31645 1/20 0.52
HRH1 P35367 1/20 0.52
CHRNA4 P43681 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 2/20 0.44
SKP2 Q13309 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
EGFR P00533 1/20 0.37
FYN P06241 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL564275 0.82 SLC6A2 (0.52) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL25596207 0.82 ESR1 (0.59) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL13599422 0.82 SLC6A2 (0.57) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL1555419 0.82 SLC6A2 (0.47) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL18883609 0.79 SKP2 (0.39) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL2779893 0.79 SLC6A4 (0.44) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL27207974 0.79 SLC6A2 (0.44) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL14944886 0.79 SLC6A2 (0.44) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL5514588 0.79 CRHBP (0.49) SLC6A2HTR2AHTR2BSLC6A4HRH1
SCHEMBL26391639 0.78 ALDH1A1 (0.39) SLC6A2HTR2AHTR2BSLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
US-8039514-B2 Sulfonamide compounds and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2011-10-18 US disclosed
EP-2292592-A1 SULFONAMIDE COMPOUND AND APPLICATION THEREOF Asahi Kasei Pharma Corporation (JP) 2011-03-09 EP disclosed
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE ASAHI KASEI PHARMA CORPORATION (JP) 2010-01-28 US disclosed
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE ASAHI KASEI PHARMA CORPORATION (JP) 2010-01-28 US disclosed
WO-2009148052-A1 SULFONAMIDE COMPOUND AND APPLICATION THEREOF 旭化成ファーマ株式会社 (JP) 2009-12-10 WO disclosed
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 EP disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 US disclosed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 SLC6A2 1690/4885HTR2A 2600/4885HTR2B 2649/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 SLC6A2 1690/4885HTR2A 2600/4885HTR2B 2649/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL SLC6A2 1481/4885HTR2A 2663/4885HTR2B 2749/4885
US-20100022601-A1 SULFONAMIDE COMPOUNDS AND THE USE PTH1R, CASR, SOST SLC6A2 3750/4885HTR2A 3685/4885HTR2B 3116/4885

“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.