SCHEMBL16632433

SCHEMBL16632433

N#Cc1cc2c(Oc3ccc(Cl)cc3O)cccn2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.44
SLC6A3 Q01959 2/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 2/20 0.44
LMNA P02545 1/20 0.44
PGR P06401 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HSPA5 P11021 1/20 0.44
HPGD P15428 1/20 0.44
CBR1 P16152 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
AGTR1 P30556 1/20 0.44
AR P10275 1/20 0.35
SLC6A4 P31645 2/20 0.34
KCNH2 Q12809 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
CCR2 P41597 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL16632571 0.86 GRM5 (0.37) AR
SCHEMBL16632447 0.86 AR (0.39) MAPTNR1I2LMNAPGRAR
SCHEMBL16632281 0.85 TTR (0.47) TTRSLC6A3MAPTNR1I2LMNA
SCHEMBL16632744 0.84 SLC6A4 (0.50) TTRSLC6A3LMNASLC6A2AR
SCHEMBL16632725 0.81 GRM5 (0.34) AR
SCHEMBL16632602 0.79 GRM5 (0.37) AR
SCHEMBL16632457 0.78 AR (0.36) TTRSLC6A3MAPTNR1I2LMNA
SCHEMBL16632736 0.77 GRM5 (0.35) TTRSLC6A3MAPTNR1I2LMNA
SCHEMBL16632488 0.76 AR (0.48) MAPTLMNAHPGDAR
SCHEMBL16632728 0.73 AR (0.46) LMNAARSLC6A4

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR TTR 4120/4885SLC6A3 3639/4885MAPT 1046/4885

“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.