SCHEMBL4378294

SCHEMBL4378294

O=C(c1ccc(Cc2ccccc2)cc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ AKR1C3 P42330 1/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ LMNA P02545 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ SLC6A7 Q99884 1/20 0.58
▸ NAMPT P43490 1/20 0.58
▸ CYP3A4 P08684 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ PKM P14618 2/20 0.55
▸ USP2 O75604 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CYP2D6 P10635 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ DRD2 P14416 1/20 0.53
▸ HTR2A P28223 1/20 0.53

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
SCHEMBL7962391 0.85 POLB (0.81) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA
SCHEMBL3573771 0.85 SLC6A7 (0.81) SMN1; SMN2AKR1C3CYP2C9CYP2C19MEN1
SCHEMBL21987079 0.82 POLB (0.81) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA
SCHEMBL3640637 0.82 GRM5 (0.63) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA
SCHEMBL4380730 0.81 SLC6A7 (0.70) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA
SCHEMBL10721777 0.80 MEN1 (0.87) LMNAMEN1KMT2APOLBSLC6A7
SCHEMBL12082812 0.79 LMNA (0.69) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA
SCHEMBL7956657 0.79 SMN1; SMN2 (0.67) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA
SCHEMBL95296 0.79 SMN1; SMN2 (0.67) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA
SCHEMBL6791126 0.79 SMN1; SMN2 (0.67) SMN1; SMN2AKR1C3CYP2C9CYP2C19LMNA

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 9 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
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 SMN1; SMN2 2684/4885AKR1C3 2264/4885CYP2C9 3555/4885

“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.

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