SCHEMBL9995201

SCHEMBL9995201

CCc1ccc(CN(C(=O)NCc2ccccc2)C2CCN(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 3/20 0.61
DCUN1D1 Q96GG9 3/20 0.61
SLC2A1 P11166 2/20 0.60
OPRM1 P35372 5/20 0.59
HRH3 Q9Y5N1 4/20 0.57
TMEM97 Q5BJF2 2/20 0.56
HTR2A P28223 3/20 0.55
KCNH2 Q12809 2/20 0.55
CHRM2 P08172 2/20 0.55
ABCB11 O95342 1/20 0.55
CYP1A2 P05177 1/20 0.55
ADRB2 P07550 1/20 0.55
CHRM1 P11229 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
GPR183 P32249 1/20 0.55
CYP2C19 P33261 1/20 0.55
ADRA1A P35348 1/20 0.55

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
SCHEMBL340490 0.92 UBE2M (0.61) UBE2MDCUN1D1SLC2A1OPRM1HRH3
SCHEMBL4211121 0.87 OPRM1 (0.61) UBE2MDCUN1D1SLC2A1OPRM1CHRM2
SCHEMBL7091708 0.87 OPRM1 (0.61) UBE2MDCUN1D1SLC2A1OPRM1CHRM2
Hydrochloric Acid SCHEMBL4207721 0.86 OPRM1 (0.60) UBE2MDCUN1D1SLC2A1OPRM1CHRM2
Oxalic Acid SCHEMBL4208908 0.85 OPRM1 (0.59) UBE2MDCUN1D1SLC2A1OPRM1CHRM2
SCHEMBL12677197 0.84 CCR5 (0.63) UBE2MDCUN1D1OPRM1HRH3TMEM97
SCHEMBL3716531 0.82 HTR2A (0.64) SLC2A1OPRM1HRH3HTR2AKCNH2
SCHEMBL4924870 0.82 MEN1 (0.56) UBE2MDCUN1D1OPRM1TMEM97CHRM2
SCHEMBL3707074 0.81 ACHE (0.55) UBE2MDCUN1D1SLC2A1OPRM1HRH3
SCHEMBL340505 0.81 ACHE (0.55) UBE2MDCUN1D1SLC2A1OPRM1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765053-B2 Methods of treatment using selective 5-HT2A inverse agonists ACADIA PHARMACEUTICALS INC. (US) 2017-09-19 US disclosed
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2017-06-15 US disclosed
US-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS ANDERSSON CARL-MAGNUS A (DK) 2011-12-08 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-20110301191-A1 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B UBE2M 4673/4885DCUN1D1 4348/4885SLC2A1 949/4885
US-20170165273-A9 METHODS OF TREATMENT USING SELECTIVE 5-HT2A INVERSE AGONISTS HTR2A, HTR5A, HTR3B UBE2M 4673/4885DCUN1D1 4348/4885SLC2A1 949/4885

“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.