SCHEMBL1870561

SCHEMBL1870561

Cc1ccn(-c2ccc(OCC3CCCN4CCCCC34)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
OXTR P30559 3/20 0.37
AVPR1A P37288 3/20 0.37
AVPR2 P30518 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1021556 0.75 TDP1 (0.46) SMN1; SMN2HTTTSHRTDP1
SCHEMBL1021555 0.75 TDP1 (0.46) SMN1; SMN2HTTTSHRTDP1
SCHEMBL1872674 0.74 RXFP1 (0.44) SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7399878 0.72 TSHR (0.51) HTTTSHR
SCHEMBL2457489 0.71 FAAH (0.44) SMN1; SMN2
SCHEMBL7396879 0.71 HTT (0.50) SMN1; SMN2HTTTSHRCHRNB2CHRNA4
SCHEMBL1880183 0.71 HRH3 (0.61)
SCHEMBL599185 0.71 HRH3 (0.54) TSHRTDP1KDM4EALDH1A1
SCHEMBL1875739 0.70 HRH3 (0.63)
SCHEMBL2099270 0.70 SIGMAR1 (0.53) SMN1; SMN2HTTTSHRTDP1CHRNB4

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-7981896-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-05-12 US disclosed
US-7897634-B2 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. (US) 2011-03-01 US disclosed
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders ATHERSYS, INC. 2007-08-23 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-20110112088-A1 PYRAZOLES FOR THE TREATMENT OF OBESITY AND OTHER CNS DISORDERS GPR119, HCRTR2, HCRTR1 DDB1 4544/4885CRBN 1510/4885SMN1; SMN2 824/4885
US-20070197526-A1 Pyrazoles for the treatment of obesity and other CNS disorders HRH3, HRH4, HRH2 DDB1 4735/4885CRBN 2768/4885SMN1; SMN2 3210/4885

“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.