SCHEMBL3269883

SCHEMBL3269883

O=C(O)C1CCN(C[C@@H](O)COc2ccnc3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.60
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
DRD4 P21917 4/20 0.51
DRD2 P14416 2/20 0.51
SCN1A P35498 1/20 0.48
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3269886 1.00 ABCB1 (0.60) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL3267445 0.93 ABCB1 (0.67) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL3267440 0.93 ABCB1 (0.67) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL3929703 0.87 ABCB1 (0.63) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL3929707 0.87 ABCB1 (0.63) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL5623034 0.84 ABCB1 (0.64) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL5623039 0.84 ABCB1 (0.64) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL9184310 0.83 ABCB1 (0.74) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL13306280 0.83 ABCB1 (0.63) ABCB1ADRB2ADRB1ADRB3DRD4
SCHEMBL13306283 0.83 ABCB1 (0.49) ABCB1ADRB2ADRB1ADRB3DRD4

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-1326833-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H LEE MOFFITT CANCER CT & RES (US) 2010-06-02 EP disclosed
US-7476680-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2009-01-13 US disclosed
US-7135483-B2 Substituted heterocyclic compounds for treating multidrug resistance H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-11-14 US disclosed
US-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2006-10-05 US disclosed
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance THE PROCTER GAMBLE CO. 2002-07-25 US disclosed
US-6376514-B1 PIPERIDINE-DERIVED COMPOUNDS CONTAINING A QUINOLYL GROUP THAT INHIBITS P-GLYCOPROTEIN TRANSPORT PROTEIN ACTIVITY; FOR TREATING CANCER AND OTHER DISEASES THE PROCTER & GAMBLE CO. 2002-04-23 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 (2 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-20060223853-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE ABCC1, ABCB1, ABCB11 ABCB1 2/4885ADRB2 373/4885ADRB1 387/4885
US-20020099215-A1 Substituted heterocyclic compounds for treating multidrug resistance ABCC1, ABCB1, ABCB11 ABCB1 2/4885ADRB2 1112/4885ADRB1 990/4885

“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.