SCHEMBL4573297

SCHEMBL4573297

[CH2]N(C)Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
AOC3 Q16853 1/20 0.47
P2RX7 Q99572 1/20 0.43
IDO1 P14902 1/20 0.42
LSS P48449 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
TAAR1 Q96RJ0 3/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL197287 0.80 HRH3 (0.64) PYCR1ALDH1A1HTTRAB9AAOC3
SCHEMBL18532755 0.80 PYCR1 (0.67) PYCR1ALDH1A1HTTRAB9AAOC3
Hydrochloric Acid SCHEMBL27816032 0.78 HRH3 (0.61) PYCR1ALDH1A1HTTRAB9AAOC3
SCHEMBL7289233 0.78 PYCR1 (0.50) PYCR1ALDH1A1IDO1TSHRHRH3
SCHEMBL10663042 0.77 PYCR1 (0.58) PYCR1ALDH1A1HTTRAB9AAOC3
SCHEMBL15652726 0.76 PYCR1 (0.52) PYCR1ALDH1A1AOC3IDO1HRH3
SCHEMBL28075013 0.76 PYCR1 (0.52) PYCR1ALDH1A1HTTRAB9AAOC3
SCHEMBL13769273 0.76 AOC3 (0.63) PYCR1ALDH1A1HTTRAB9AAOC3
Methylene Chloride SCHEMBL6061380 0.76 HRH3 (0.58) PYCR1ALDH1A1HTTRAB9AAOC3
SCHEMBL294642 0.75 TSHR (0.64) PYCR1ALDH1A1RAB9AAOC3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP 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-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 PYCR1 1202/4885ALDH1A1 2435/4885HTT 2226/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ PYCR1 415/4885ALDH1A1 4404/4885HTT 2282/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 PYCR1 1290/4885ALDH1A1 3084/4885HTT 2342/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR PYCR1 419/4885ALDH1A1 2333/4885HTT 3165/4885

“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.