SCHEMBL914543

SCHEMBL914543

O=C(NC1CCN(CCN2[C@@H]3CC[C@H]2C[C@@H](O)C3)CC1)c1cc2c(OCC3CCC3)cccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
HTR7 P34969 3/20 0.37
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
RHEB Q15382 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 1/20 0.36
PARP1 P09874 1/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLD2 O14939 1/20 0.35

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
SCHEMBL6958776 1.00 KMT2A (0.40) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL913607 0.91 KMT2A (0.42) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL913418 0.89 KMT2A (0.42) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL913772 0.88 KDM4E (0.44) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL915770 0.87 DRD2 (0.42) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL914822 0.87 HTR1A (0.43) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL6962267 0.87 HTR1A (0.43) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL914697 0.87 HTR1A (0.43) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL913758 0.87 KMT2A (0.41) KMT2AHTR7HTR1ADRD2DRD3
SCHEMBL916105 0.86 KDM4E (0.45) KMT2AHTR7HTR1ADRD2DRD3

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 2 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-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 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 (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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KMT2A 4109/4885HTR7 1237/4885HTR1A 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.