SCHEMBL4133414

SCHEMBL4133414

O=C(O)NNC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.67
▸ DRD4 P21917 3/20 0.62
▸ DRD2 P14416 1/20 0.62
▸ DRD3 P35462 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ POLB P06746 1/20 0.61
▸ ACHE P22303 3/20 0.60
▸ BACE1 P56817 3/20 0.60
▸ BCHE P06276 2/20 0.60
▸ DPP7 Q9UHL4 1/20 0.60

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
SCHEMBL17610278 0.91 BCHE (0.62) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL22634135 0.88 SIGMAR1 (0.63) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL8553564 0.87 DRD4 (0.70) SIGMAR1DRD4DRD2KMT2AACHE
SCHEMBL2425554 0.86 SIGMAR1 (0.78) SIGMAR1DRD4DRD2DRD3KMT2A
Hydrochloric Acid SCHEMBL21410212 0.84 SIGMAR1 (0.76) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL8185713 0.83 CYP2C19 (0.62) SIGMAR1KMT2ADPP7
SCHEMBL1934269 0.82 ALDH1A1 (0.58) DRD4DRD2ACHEBACE1BCHE
SCHEMBL10554681 0.82 DRD4 (0.64) SIGMAR1DRD4DRD2KMT2AACHE
SCHEMBL19743237 0.82 KCNH2 (0.60) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL3635817 0.81 KMT2A (0.56) SIGMAR1DRD4DRD2DRD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 — — US disclosed
WO-2006136917-A1 TRIAZOLYLPIPERIDINE DERIVATIVES AND USE THEREOF IN THERAPY PFIZER LIMITED (GB) 2006-12-28 — — 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 SIGMAR1 295/4885DRD4 361/4885DRD2 394/4885

“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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