SCHEMBL318501

SCHEMBL318501

CC[CH]N1C(=O)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
HPGD P15428 1/20 0.46
KMT2A Q03164 3/20 0.40
CASP3 P42574 2/20 0.40
CASP6 P55212 2/20 0.40
SENP8 Q96LD8 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
SENP6 Q9GZR1 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRL1 P41146 3/20 0.39
HTR7 P34969 5/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTR1A P08908 2/20 0.38
LMNA P02545 1/20 0.37
DDB1 Q16531 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
SCHEMBL4409235 0.78 HPGD (0.56) NOTUMHPGDKMT2ACASP3CASP6
SCHEMBL5873731 0.77 HPGD (0.50) NOTUMHPGDKMT2ACASP3CASP6
SCHEMBL31726238 0.77 HPGD (0.50) NOTUMHPGDKMT2ACASP3CASP6
SCHEMBL30382092 0.73 HTR7 (0.53) NOTUMHPGDHTR7HTR1AGAA
SCHEMBL5113192 0.73 HTR7 (0.53) NOTUMHPGDHTR7HTR1AGAA
SCHEMBL25162957 0.71 HPGD (0.53) NOTUMHPGDKMT2AHTR7MEN1
Hydrochloric Acid SCHEMBL29877918 0.71 HTR7 (0.51) NOTUMHPGDHTR7HTR1AGAA
SCHEMBL28669819 0.71 HPGD (0.49) NOTUMHPGDKMT2ACASP3CASP6
SCHEMBL8240109 0.70 HTR7 (0.57) NOTUMHTR7HTR1ADRD2DRD5
SCHEMBL16767079 0.70 NOTUM (0.56) NOTUMHPGDKMT2ACASP3CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP claimed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US claimed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US claimed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NOTUM 4007/4885HPGD 720/4885KMT2A 2446/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NOTUM 4007/4885HPGD 720/4885KMT2A 2446/4885

“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.