SCHEMBL6041201

SCHEMBL6041201

COC(=O)C1CCN(CCOc2c(OC)cccc2OC)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.63
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
LTA4H P09960 3/20 0.52
TSHR P16473 1/20 0.51
HTR2A P28223 2/20 0.50
GRM2 Q14416 2/20 0.50
THRB P10828 1/20 0.50
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL17842398 0.81 LTA4H (0.54) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL6681568 0.81 LTA4H (0.71) KDM4ELTA4HNPC1RAB9A
SCHEMBL17848363 0.79 HTR7 (0.60) ALDH1A1KDM4ECYP2D6CYP1A2LTA4H
SCHEMBL17842233 0.77 LTA4H (0.60) MEN1KMT2AALDH1A1KDM4ELTA4H
SCHEMBL13472664 0.76 LTA4H (0.61) LTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL6686261 0.76 LTA4H (0.61) LTA4HNPC1RAB9A
SCHEMBL26635885 0.75 CD274 (0.51) MEN1KMT2AALDH1A1KDM4ETHRB
SCHEMBL9912397 0.75 TP53 (0.50) POLBALDH1A1LTA4HTHRBSMN1; SMN2
SCHEMBL11748409 0.74 OPRM1 (0.62) MEN1KMT2AALDH1A1KDM4E
SCHEMBL17842304 0.74 NPC1 (0.70) POLBKMT2AALDH1A1KDM4ELTA4H

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
EP-1663972-A1 THE CLAIMED INVENTION RELATES TO NOVEL 4-PIPERIDINECARBOXAMIDE AND THE USE THEREOF FOR THE PREPARATION OF MEDICAMENTS AGAINST 5-HT2A RECEPTOR-RELATED DISORDERS Galapagos N.V. (BE) 2006-06-07 EP disclosed
US-20050215589-A1 Inhibitors of 5-HT2A receptor BIOVITRUM AB (SE) 2005-09-29 US disclosed
WO-2005021505-A1 THE CLAIMED INVENTION RELATES TO NOVEL 4-PIPERIDINECARBOXAMIDE AND THE USE THEREOF FOR THE PREPARATION OF MEDICAMENTS AGAINST 5-HT2A RECEPTOR-RELATED DISORDERS GALAPAGOS NV (BE) 2005-03-10 WO 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-20050215589-A1 Inhibitors of 5-HT2A receptor HTR2A, HTR1A, HTR2C POLB 2826/4885MEN1 2588/4885KMT2A 1530/4885

“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.