SCHEMBL6406073

SCHEMBL6406073

O=CCC1CCCCC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 9/20 0.39
HTR2B P41595 6/20 0.39
HTR2A P28223 4/20 0.39
MAOB P27338 4/20 0.39
ALDH1A1 P00352 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
HPGD P15428 1/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL10675972 1.00 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10676736 1.00 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10676739 1.00 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10675977 1.00 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10676981 0.82 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10669028 0.82 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10676988 0.82 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10669021 0.82 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL10669034 0.82 MEN1 (0.42) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL25254330 0.79 HTR2C (0.57) HTR2CHTR2BHTR2AMAOBKDM1A

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-20050282817-A1 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; obesity NOKIA CORPORATION (FI) 2005-12-22 US disclosed
WO-1999031077-A1 ARYLPIPERAZINES HAVING ACTIVITY AT THE SEROTONIN 1A RECEPTOR ELI LILLY AND COMPANY (US) 1999-06-24 WO disclosed
US-4736057-A Cyclohexane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-04-05 US disclosed
EP-0142322-B1 CYCLOHEXANE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-09 EP disclosed
EP-0142322-A2 Cyclohexane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-22 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 (1 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-20050282817-A1 4-(3-Phenyl-3-carbocycloylpropyl)-1-phenyl- or pyridylpiperazine derivatives: 1-(2-methoxyphenyl)-4-[3-(benzoyl)-3-(phenyl)propyl]piperazine oxalate; serotonin receptor antagonists; obesity HTR3A, HTR3C, HTR1A MEN1 4759/4885KMT2A 2605/4885HTR2C 4/4885

“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.