SCHEMBL6964524

SCHEMBL6964524

CC(C)CCCOc1cccc2[nH]c(C(=O)NC3CCN(CCN4CCC(O)CC4)CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
HTR7 P34969 10/20 0.43
HTR1A P08908 4/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
HTR6 P50406 1/20 0.40
POLB P06746 1/20 0.40
RHEB Q15382 1/20 0.39

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
Hydrochloric Acid SCHEMBL914721 0.99 PARP1 (0.44) PARP1HTR7HTR1ADRD2DRD3
SCHEMBL6962192 0.96 PARP1 (0.47) PARP1HTR7HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL914452 0.95 PARP1 (0.47) PARP1HTR7HTR1ADRD2DRD3
SCHEMBL914311 0.91 PARP1 (0.43) PARP1HTR7HTR1ADRD2DRD3
SCHEMBL913976 0.87 KMT2A (0.44) PARP1HTR7HTR1ADRD2DRD3
SCHEMBL6962173 0.87 HTR7 (0.47) PARP1HTR7HTR1ADRD2DRD3
SCHEMBL913081 0.87 KMT2A (0.43) PARP1HTR7HTR1ADRD2DRD3
Hydrochloric Acid SCHEMBL913773 0.86 HTR7 (0.47) PARP1HTR7HTR1ADRD2DRD3
SCHEMBL12975789 0.86 HTR7 (0.45) HTR7HTR1ADRD2DRD3KMT2A
Hydrochloric Acid SCHEMBL4401804 0.86 PARP1 (0.40) PARP1HTR7HTR1ADRD2UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PARP1 2933/4885HTR7 1237/4885HTR1A 1607/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PARP1 3011/4885HTR7 1241/4885HTR1A 1607/4885

“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.