SCHEMBL4378534

SCHEMBL4378534

O=C(CCc1ccc2c(c1)OCO2)N1CCN(C2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
TRPV1 Q8NER1 1/20 0.61
ALDH1A1 P00352 5/20 0.59
LMNA P02545 5/20 0.59
TSHR P16473 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
L3MBTL3 Q96JM7 1/20 0.50
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.49
SLC18A3 Q16572 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL4379319 0.99 KMT2A (0.64) KMT2AMEN1TRPV1ALDH1A1LMNA
SCHEMBL2830225 0.91 TRPV1 (0.64) KMT2AMEN1TRPV1ALDH1A1LMNA
SCHEMBL9425805 0.85 TRPV1 (0.81) KMT2AMEN1TRPV1ALDH1A1LMNA
SCHEMBL9425973 0.84 TRPV1 (0.83) KMT2AMEN1TRPV1ALDH1A1LMNA
SCHEMBL13636201 0.81 ALDH1A1 (0.63) KMT2AALDH1A1TSHRL3MBTL3MAPT
SCHEMBL3773930 0.80 KMT2A (0.61) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL15949382 0.80 ALDH1A1 (0.56) KMT2AMEN1TRPV1ALDH1A1LMNA
SCHEMBL14218026 0.80 TRPV1 (0.61) KMT2AMEN1TRPV1ALDH1A1LMNA
SCHEMBL20988926 0.78 ALDH1A1 (0.57) KMT2AMEN1TRPV1ALDH1A1LMNA
SCHEMBL9426173 0.77 TRPV1 (0.68) KMT2AMEN1TRPV1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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 (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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 KMT2A 295/4885MEN1 2570/4885TRPV1 122/4885

“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.