SCHEMBL3048966

SCHEMBL3048966

COc1ccccc1CN1CCc2cc(O)ccc2C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.67
ABCB1 P08183 8/20 0.61
POLB P06746 1/20 0.60
KDM4E B2RXH2 3/20 0.59
ABCC1 P33527 3/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
DRD3 P35462 5/20 0.53
DRD2 P14416 4/20 0.53
DRD4 P21917 2/20 0.53
TMEM97 Q5BJF2 2/20 0.53
COMT P21964 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3041492 0.89 CA9 (0.69) CA9ABCB1POLBKDM4EABCC1
SCHEMBL3056628 0.86 POLB (0.72) CA9ABCB1POLBKDM4EABCC1
SCHEMBL3062515 0.85 CA9 (0.64) CA9ABCB1POLBKDM4EABCC1
SCHEMBL3052526 0.85 KDM4E (0.74) CA9ABCB1POLBKDM4EABCC1
SCHEMBL3049243 0.85 DRD3 (0.70) CA9ABCB1KDM4EDRD3DRD2
SCHEMBL3049161 0.80 CA9 (0.78) CA9ABCB1KDM4EABCC1ALDH1A1
SCHEMBL3049471 0.79 REV1 (0.71) ABCB1POLBKDM4EABCC1MAPT
SCHEMBL3046470 0.79 DRD2 (0.69) CA9KDM4EDRD3DRD2DRD4
SCHEMBL3046385 0.78 DRD3 (0.62) CA9ABCB1KDM4EDRD3DRD2
SCHEMBL3051361 0.78 CA9 (0.64) CA9ABCB1KDM4EABCC1ALDH1A1

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
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
CN-101677993-A Compound (I) STERIX LTD 2010-03-24 CN disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC CA9 1002/4885ABCB1 754/4885POLB 3243/4885

“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.