SCHEMBL14761200

SCHEMBL14761200

O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.74
▸ ALDH1A1 P00352 2/20 0.70
▸ DRD2 P14416 3/20 0.65
▸ DRD3 P35462 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ NR4A1 P22736 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ TSHR P16473 2/20 0.62
▸ POLB P06746 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ CYP2C9 P11712 1/20 0.61
▸ ADRA1A P35348 1/20 0.58
▸ SMAD3 P84022 1/20 0.56
▸ MAPT P10636 1/20 0.55

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
SCHEMBL14761718 0.96 DRD3 (0.71) CYP2D6ALDH1A1DRD2DRD3SMN1; SMN2
SCHEMBL14761452 0.93 CYP2D6 (0.71) CYP2D6ALDH1A1DRD2DRD3TSHR
SCHEMBL10642292 0.83 EPHX1 (0.66) CYP2D6ALDH1A1DRD2DRD3SMN1; SMN2
Hydrochloric Acid SCHEMBL10757369 0.82 EPHX1 (0.65) CYP2D6ALDH1A1DRD2DRD3SMN1; SMN2
SCHEMBL19716910 0.82 ALDH1A1 (0.67) CYP2D6ALDH1A1DRD3KMT2A
Hydrochloric Acid SCHEMBL9602156 0.81 CYP2D6 (0.60) CYP2D6ALDH1A1DRD2DRD3SMN1; SMN2
SCHEMBL10723940 0.81 DRD2 (0.65) DRD2DRD3SMN1; SMN2TSHRMEN1
SCHEMBL19849351 0.80 SMN1; SMN2 (0.70) CYP2D6ALDH1A1DRD2DRD3SMN1; SMN2
SCHEMBL5457536 0.79 DRD2 (0.60) CYP2D6ALDH1A1DRD2DRD3TP53
SCHEMBL5815460 0.79 EPHX1 (0.66) ALDH1A1SMN1; SMN2LMNAPOLBKMT2A

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-2576520-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE Healthcare UK Limited (GB) 2013-04-10 — — EP disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 — — US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 — — US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 — — US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 — — WO disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 — — 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A CYP2D6 572/4885ALDH1A1 702/4885DRD2 63/4885

“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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