SCHEMBL14761452

SCHEMBL14761452

O=C(NCCN1CCN(Cc2ccccc2)CC1)C1CCCCC1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.71
▸ TSHR P16473 2/20 0.71
▸ POLB P06746 1/20 0.71
▸ MEN1 O00255 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ CYP2C9 P11712 1/20 0.69
▸ SIGMAR1 Q99720 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.61
▸ DRD2 P14416 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ CHRM4 P08173 1/20 0.57

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
SCHEMBL14761200 0.93 CYP2D6 (0.74) CYP2D6TSHRPOLBMEN1KMT2A
SCHEMBL14761718 0.91 DRD3 (0.71) CYP2D6TSHRPOLBMEN1KMT2A
SCHEMBL12916046 0.81 SIGMAR1 (0.64) KMT2ASIGMAR1
SCHEMBL19554726 0.80 KDM4E (0.72) TSHRALDH1A1CHRM4
SCHEMBL2262431 0.79 CHRM4 (0.65) CYP2D6TSHRPOLBMEN1KMT2A
SCHEMBL6378224 0.79 CYP2C19 (0.70) KMT2ASIGMAR1DRD2DRD3
SCHEMBL19849339 0.79 ALOX15 (0.59) TSHRMEN1KMT2AALDH1A1DRD2
SCHEMBL17468810 0.78 SIGMAR1 (0.61) CYP2D6TSHRPOLBMEN1KMT2A
SCHEMBL8185713 0.78 CYP2C19 (0.62) CYP2D6KMT2ASIGMAR1ALDH1A1
SCHEMBL24075739 0.78 SLC6A2 (0.70) CYP2D6MEN1KMT2ACYP2C9

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 5 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
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 572/4885TSHR 443/4885POLB 3872/4885

“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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