SCHEMBL7963579

SCHEMBL7963579

CN(C)Cc1cc(Br)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.51
SLC6A4 P31645 9/20 0.50
SLC6A2 P23975 6/20 0.47
SLC6A3 Q01959 4/20 0.47
PYCR1 P32322 3/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
G6PD P11413 1/20 0.45
PABPC1 P11940 1/20 0.45
KMT2A Q03164 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29964423 1.00 CCR5 (0.51) CCR5SLC6A4SLC6A2SLC6A3PYCR1
SCHEMBL21419342 0.86 PYCR1 (0.63) CCR5SLC6A4SLC6A2SLC6A3PYCR1
SCHEMBL21911855 0.84 PYCR1 (0.45) CCR5SLC6A4SLC6A2SLC6A3PYCR1
SCHEMBL30138589 0.78 BRD4 (0.42) PYCR1KDM4EALDH1A1POLBGAA
SCHEMBL3074139 0.78 BRD4 (0.42) PYCR1KDM4EALDH1A1POLBGAA
SCHEMBL4472606 0.78 SLC6A4 (0.46) CCR5SLC6A4SLC6A2SLC6A3PYCR1
SCHEMBL20509720 0.78 SLC6A4 (0.46) CCR5SLC6A4SLC6A2SLC6A3PYCR1
SCHEMBL879283 0.77 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KDM4EMEN1
SCHEMBL3696560 0.76 SLC6A4 (0.56) CCR5SLC6A4SLC6A2SLC6A3PYCR1
SCHEMBL29888844 0.76 SLC6A4 (0.56) CCR5SLC6A4SLC6A2SLC6A3PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-06 US disclosed
US-20190300506-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-10-03 US disclosed
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO 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-20190300506-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF STS, SLC5A2, SULT2A1 CCR5 2868/4885SLC6A4 403/4885SLC6A2 345/4885
US-10793549-B2 Sulfuryl-substituted benzoheterocyclic derivative, preparation method and medical use thereof STS, SULT2A1, CYP2A13 CCR5 1771/4885SLC6A4 502/4885SLC6A2 356/4885

“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.