SCHEMBL16652186

SCHEMBL16652186

CC1(C)OCC(c2ccc(N)cc2)O1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
CYP19A1 P11511 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CA2 P00918 2/20 0.30

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
SCHEMBL16652185 1.00 CACNA1G (0.35) CACNA1GCACNA1HCACNA1ICYP19A1HCRTR1
SCHEMBL22479923 0.83 CACNA1G (0.35) CACNA1GCACNA1HCACNA1ICYP19A1HCRTR1
SCHEMBL1305945 0.81 HCRTR2 (0.42) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL7254156 0.81 ESR2 (0.41) CACNA1GCACNA1HCACNA1ICYP19A1HCRTR1
SCHEMBL19432763 0.81 CACNA1G (0.35) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL17476831 0.81 HCRTR2 (0.42) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL1305947 0.81 HCRTR2 (0.42) CACNA1GCACNA1HCACNA1IHCRTR1HCRTR2
SCHEMBL7787343 0.81 TSHR (0.50) HCRTR1HCRTR2
SCHEMBL16377614 0.81 TSHR (0.50) HCRTR1HCRTR2
SCHEMBL5371551 0.81 TSHR (0.50) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884861-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-02-06 US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 US disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 WO disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 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-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B CACNA1G 4272/4885CACNA1H 4552/4885CACNA1I 4586/4885
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B CACNA1G 4272/4885CACNA1H 4552/4885CACNA1I 4586/4885

“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.