SCHEMBL4989807

SCHEMBL4989807

CC[C@H](NC(=O)c1c(OS(C)(=O)=O)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.79
TACR2 P21452 8/20 0.79
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP2D6 P10635 1/20 0.70
TACR1 P25103 1/20 0.70
OPRM1 P35372 1/20 0.70
MEN1 O00255 1/20 0.70
ALDH1A1 P00352 1/20 0.70
TP53 P04637 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
MAPK1 P28482 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
KMT2A Q03164 1/20 0.70
ATM Q13315 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70

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
SCHEMBL4990149 1.00 TACR3 (0.79) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL14092925 0.93 TACR3 (0.78) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL14092937 0.91 TACR3 (0.75) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4963540 0.91 TACR3 (0.66) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4967704 0.91 TACR3 (0.74) TACR3TACR2
SCHEMBL4966460 0.91 TACR3 (0.72) TACR3TACR2
SCHEMBL4986681 0.91 TACR3 (0.72) TACR3TACR2
SCHEMBL4966074 0.91 TACR3 (0.74) TACR3TACR2
SCHEMBL14092932 0.90 TACR3 (0.74) TACR3TACR2CYP1A2CYP3A4CYP2C9
SCHEMBL4997724 0.90 TACR3 (0.74) TACR3TACR2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-08-14 US claimed
EP-3041509-B1 NKR3 ANTAGONISTS FOR TREATING OR PREVENTING HOT FLUSHES IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2023-07-12 EP disclosed
US-20160220555-A1 Method For Treating Or Preventing Hot Flushes IMPERIAL WHITE CITY INCUBATOR LIMITED (GB) 2016-08-04 US disclosed
US-20160220555-A1 Method For Treating Or Preventing Hot Flushes IMPERIAL WHITE CITY INCUBATOR LIMITED (GB) 2016-08-04 US disclosed
WO-2015033163-A1 METHOD FOR TREATING OR PREVENTING HOT FLUSHES IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-12 WO disclosed
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-08-14 US disclosed
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators ASTRAZENECA AB (SE) 2008-08-14 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-20160220555-A1 Method For Treating Or Preventing Hot Flushes KLK5, KISS1R, KLKB1 TACR3 7/4885TACR2 10/4885CYP1A2 1561/4885
US-20080194622-A1 Quinoline 3-Sulfonate Esters as Nk3 Receptor Modulators KCNQ3, KCNA3, GPR3 TACR3 9/4885TACR2 6/4885CYP1A2 1174/4885

“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.