SCHEMBL6964407

SCHEMBL6964407

C[C@@H]1CN(CCN2CCC(NC(=O)c3cc4c(OCc5coc6ccc(F)cc56)cccc4[nH]3)CC2)C[C@H](C)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.40
DRD2 P14416 2/20 0.39
HTR1A P08908 2/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 7/20 0.36
SOS1 Q07889 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MCHR1 Q99705 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR2 Q969V1 1/20 0.35
SLC2A1 P11166 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
Hydrochloric Acid SCHEMBL915883 0.99 HTR7 (0.40) HTR7DRD2HTR1AHTR6ALDH1A1
SCHEMBL6963824 0.92 HTR7 (0.42) HTR7DRD2HTR1AHTR6ALDH1A1
Hydrochloric Acid SCHEMBL913922 0.92 HTR7 (0.41) HTR7DRD2HTR1AHTR6ALDH1A1
SCHEMBL6964134 0.89 HTR7 (0.39) HTR7DRD2HTR1AHTR6ALDH1A1
Hydrochloric Acid SCHEMBL4404547 0.89 SOS1 (0.35) HTR7DRD2HTR1AHTR6ALDH1A1
Hydrochloric Acid SCHEMBL914237 0.89 HTR7 (0.39) HTR7DRD2HTR1AHTR6ALDH1A1
SCHEMBL6959605 0.88 HTR7 (0.36) HTR7DRD2HTR1AHTR6HTR2A
SCHEMBL916123 0.87 RHEB (0.39) HTR7DRD2HTR1AALDH1A1HTR2A
Hydrochloric Acid SCHEMBL915205 0.87 HTR7 (0.36) HTR7DRD2HTR1AHTR6HTR2A
SCHEMBL914309 0.87 DRD2 (0.38) HTR7DRD2HTR2ADRD3MAOA

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 HTR7 1237/4885DRD2 928/4885HTR1A 1607/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTR7 1241/4885DRD2 914/4885HTR1A 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.