SCHEMBL20134950

SCHEMBL20134950

Clc1ccc2onc(C3CCNCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KCNH2 Q12809 1/20 0.39
FAAH O00519 1/20 0.37
HTR1F P30939 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
SCHEMBL29688952 1.00 HTR3A (0.41) HTR3ANPC1RAB9AHTR2ADRD3
Hydrochloric Acid SCHEMBL604319 0.99 NPC1 (0.43) HTR3ANPC1RAB9AHTR2ADRD3
SCHEMBL1545681 0.88 MAPK14 (0.47) HTR2ADRD3MAPK14
Hydrochloric Acid SCHEMBL607480 0.87 MAPK14 (0.46) NPC1RAB9AHTR2ADRD3MAPK14
SCHEMBL14034032 0.82 HTR2A (0.46) HTR2ADRD3MAPK14KCNH2HTR1F
SCHEMBL11224845 0.82 ESR1 (0.46) MAPK14HTR1F
SCHEMBL187372 0.82 SCD (0.51)
SCHEMBL29688619 0.82 SCD (0.51)
Hydrochloric Acid SCHEMBL23581610 0.81 HTR2A (0.45) HTR2ADRD3KMT2AMAPK14KCNH2
Bromide SCHEMBL1841795 0.81 ESR1 (0.45) MAPK14HTR1F

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 HTR3A 3393/4885NPC1 4881/4885RAB9A 270/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HTR3A 3409/4885NPC1 4882/4885RAB9A 345/4885

“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.