SCHEMBL3177932

SCHEMBL3177932

CCCCCN1CCC2CC(O)=C(CC)C=C2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
DRD1 P21728 7/20 0.43
DRD4 P21917 7/20 0.43
DRD5 P21918 7/20 0.43
DRD3 P35462 7/20 0.43
DRD2 P14416 7/20 0.43
KCNH2 Q12809 2/20 0.36
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36
SPHK1 Q9NYA1 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL3162952 0.91 HTR1A (0.43) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL3167361 0.77 ABCB1 (0.39) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL3158463 0.70 KCNH2 (0.43) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL3173976 0.70 ABCB1 (0.42) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL589584 0.69 HTR1A (0.42) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL256656 0.61 DRD2 (0.78) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL3241601 0.60 GLB1 (0.37) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL24359296 0.60 DRD2 (0.59) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL3233796 0.60 ALDH1A1 (0.36) HTR1ADRD1DRD4DRD5DRD3
SCHEMBL15779804 0.60 DRD2 (0.76) HTR1ADRD1DRD4DRD5DRD3

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 4 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
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 HTR1A 1761/4885DRD1 3150/4885DRD4 1675/4885

“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.