SCHEMBL1967043

SCHEMBL1967043

O=C(CC1CC1)NC1CCC(CCN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ DRD2 P14416 9/20 0.55
▸ HTR2A P28223 9/20 0.55
▸ DRD3 P35462 9/20 0.55
▸ LMNA P02545 2/20 0.54
▸ HSP90AA1 P07900 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ TSHR P16473 1/20 0.51
▸ CHRM4 P08173 1/20 0.51

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
SCHEMBL3143481 1.00 POLB (0.60) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1969239 0.93 POLB (0.58) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1966066 0.93 POLB (0.63) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3133106 0.93 POLB (0.58) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3148109 0.93 POLB (0.63) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1971379 0.91 POLB (0.60) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3134872 0.91 POLB (0.60) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3148400 0.89 DRD3 (0.62) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1972542 0.89 DRD3 (0.62) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3134267 0.87 DRD2 (0.60) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334644-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-06-22 — — EP claimed
WO-2010034648-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 — — WO claimed
US-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 — — US claimed
EP-2334644-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-06-22 — — EP disclosed
WO-2010034648-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-04-01 — — WO disclosed
US-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2010-03-25 — — 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-20100075979-A1 PYRIDINYLPIPERAZIN DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, VDR POLB 3954/4885ALDH1A1 1867/4885SMN1; SMN2 3334/4885

“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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