SCHEMBL10355142

SCHEMBL10355142

Oc1ccc2c(CCCCN3CC=C(c4ccccc4)CC3)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.85
HTR1A P08908 2/20 0.85
CYP1A2 P05177 1/20 0.85
CYP3A4 P08684 1/20 0.85
MAPT P10636 1/20 0.85
CYP2C9 P11712 1/20 0.85
DRD2 P14416 1/20 0.85
TSHR P16473 1/20 0.85
DRD4 P21917 1/20 0.85
CYP2C19 P33261 1/20 0.85
DRD3 P35462 1/20 0.85
KDM4E B2RXH2 1/20 0.67
ALOX15 P16050 1/20 0.67
APEX1 P27695 1/20 0.67
KMT2A Q03164 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
Roxindole SCHEMBL5605611 0.92 TDP1 (1.00) TDP1HTR1ACYP1A2CYP3A4MAPT
Roxindole SCHEMBL49673 0.92 TDP1 (1.00) TDP1HTR1ACYP1A2CYP3A4MAPT
Roxindole SCHEMBL5453647 0.91 TDP1 (0.98) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL9581698 0.88 TDP1 (0.69) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL13532828 0.87 TDP1 (0.74) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL9581566 0.87 TDP1 (0.84) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL13532826 0.87 HTR1A (0.74) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL13532823 0.87 HTR1A (0.74) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL13532829 0.87 TDP1 (0.74) TDP1HTR1ACYP1A2CYP3A4MAPT
Roxindole SCHEMBL29489916 0.86 TDP1 (0.88) TDP1HTR1ACYP1A2CYP3A4MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
EP-0166183-B1 USE OF HYDROXYINDOLE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR LOWERING THE BLOOD PRESSURE MERCK PATENT GmbH (DE) 1990-10-03 EP disclosed
EP-0166183-A2 Use of hydroxyindole derivatives for the manufacture of a medicament for lowering the blood pressure MERCK PATENT GmbH (DE) 1986-01-02 EP 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A TDP1 1815/4885HTR1A 7/4885CYP1A2 4647/4885

“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.