SCHEMBL5474719

SCHEMBL5474719

O=C(Cc1ccc(Cl)c(Cl)c1)NCCCN1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ GAA P10253 1/20 0.60
▸ HRH3 Q9Y5N1 2/20 0.58
▸ SIGMAR1 Q99720 7/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ CCR2 P41597 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ LIPG Q9Y5X9 1/20 0.52
▸ HTT P42858 1/20 0.51
▸ POLB P06746 1/20 0.50

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
SCHEMBL7644013 0.91 GAA (0.71) SMN1; SMN2GAASIGMAR1CYP1A2CYP2D6
SCHEMBL16511119 0.87 ALDH1A1 (0.73) SMN1; SMN2GAAHRH3CYP2D6ALDH1A1
SCHEMBL16511225 0.85 ALDH1A1 (0.75) SMN1; SMN2GAAHRH3CYP2D6ALDH1A1
SCHEMBL23886125 0.81 PYGL (0.62) HRH3SIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL14430765 0.81 KMT2A (0.64) SMN1; SMN2GAAHRH3CYP2D6TSHR
SCHEMBL5476362 0.81 ALDH1A1 (0.64) SMN1; SMN2GAAHRH3CYP2D6ALDH1A1
SCHEMBL16511120 0.78 GAA (0.81) SMN1; SMN2GAACYP1A2CYP2D6TSHR
SCHEMBL11806030 0.78 CNR1 (0.61) HRH3CYP1A2CCR2POLB
SCHEMBL5480904 0.78 ALDH1A1 (0.60) SMN1; SMN2GAAHRH3CYP2D6ALDH1A1
SCHEMBL16511117 0.76 GAA (0.83) SMN1; SMN2GAACYP1A2CYP2D6TSHR

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-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 — — US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 — — US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 — — 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A SMN1; SMN2 3605/4885GAA 4017/4885HRH3 327/4885

“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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