SCHEMBL17229261

SCHEMBL17229261

Cc1cc(CC(C)C)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CPB1 P15086 1/20 0.32
CPB2 Q96IY4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA4 P43681 4/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL13018929 0.82 ALDH1A1 (0.45) ALDH1A1NPSR1CPB2SMN1; SMN2
SCHEMBL17229260 0.80 CYP2A6 (0.34) S1PR1S1PR3CPB1CPB2SMN1; SMN2
SCHEMBL21503664 0.79 ALDH1A1 (0.33) ALDH1A1NPSR1CPB2SMN1; SMN2ESR1
SCHEMBL9998961 0.79 KCNJ5 (0.38)
SCHEMBL9998965 0.79 KCNJ5 (0.38)
SCHEMBL2597202 0.78 NOS3 (0.35) ALDH1A1NPSR1CHRNB2CHRNB4CHRNA3
SCHEMBL1912419 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1SMN1; SMN2CHRNB2CHRNB4
SCHEMBL17229318 0.77 CHRNB2 (0.37) ALDH1A1NPSR1CPB2SMN1; SMN2CHRNB2
SCHEMBL17229282 0.77 S1PR1 (0.33) S1PR1S1PR3CPB1CPB2SMN1; SMN2
SCHEMBL26138262 0.77 S1PR1 (0.33) S1PR1S1PR3CPB1CPB2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH ALDH1A1 416/4885NPSR1 3309/4885S1PR1 1539/4885

“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.