SCHEMBL916260

SCHEMBL916260

CCOc1ccc(-c2cccc3[nH]c(C(=O)NC4CCN(CCN5CCCCC5)CC4)cc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDGFRB P09619 1/20 0.44
FLT3 P36888 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR7 P34969 4/20 0.42
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41

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
SCHEMBL913726 1.00 ALDH1A1 (0.45) ALDH1A1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL914477 0.93 HTR7 (0.42) ALDH1A1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL914740 0.91 KDM4E (0.49) ALDH1A1SMN1; SMN2PDGFRBFLT3HTR7
SCHEMBL914558 0.89 KDM4E (0.45) PDGFRBFLT3L3MBTL1HTR7HTR1A
SCHEMBL13593441 0.88 KDM4E (0.45) HRH3HTR7HTR1AKDM4EHSD17B10
SCHEMBL914193 0.88 HTR7 (0.49) ALDH1A1SMN1; SMN2HTR7HTR1AKDM4E
SCHEMBL913892 0.87 DRD4 (0.43) PDGFRBFLT3HRH3HTR7HTR1A
SCHEMBL4396457 0.87 HRH3 (0.42) ALDH1A1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL4410349 0.87 HRH3 (0.42) ALDH1A1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL914333 0.86 KDM4E (0.43) RAB9ASMN1; SMN2HTR7HTR1AKDM4E

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-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US claimed
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 ALDH1A1 1647/4885TP53 2533/4885RAB9A 389/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ALDH1A1 1732/4885TP53 2531/4885RAB9A 389/4885

“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.