SCHEMBL16685249

SCHEMBL16685249

Oc1ccc2c(c1)CC=N2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.36
ESR2 Q92731 4/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DRD2 P14416 3/20 0.35
DRD4 P21917 1/20 0.35
HSD17B10 Q99714 1/20 0.34
DRD3 P35462 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HSP90AA1 P07900 1/20 0.33
OPRK1 P41145 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B2 P19099 1/20 0.32
PBRM1 Q86U86 1/20 0.31

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
SCHEMBL6291964 0.79 DRD2 (0.37) ESR1ESR2PDE3BPDE3ADRD2
SCHEMBL29941648 0.75 FYN (0.36) HSD17B10
SCHEMBL7939160 0.74 PDE3B (0.35) PDE3BPDE3AHSD17B10
SCHEMBL28825993 0.72 ALOX5 (0.45) ESR1ESR2
SCHEMBL17242206 0.72 CA1 (0.46) HSD17B10TSHR
SCHEMBL3199131 0.72 ALDH1A1 (0.47) HSD17B10TSHR
SCHEMBL3657574 0.71 DRD2 (0.35) ESR1ESR2PDE3BPDE3ADRD2
SCHEMBL24595463 0.69 TRPA1 (0.36) TSHR
SCHEMBL17026980 0.69 PNMT (0.38)
SCHEMBL9924365 0.69 NPSR1 (0.51) HSD17B10

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
EP-4147724-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF Beth Israel Deaconess Medical Center (US) 2023-03-15 EP disclosed
US-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-08 US disclosed
US-11077210-B2 Near-infrared fluorescent contrast bioimaging agents and methods of use thereof BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2021-08-03 US disclosed
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2016-09-15 US disclosed
EP-3062825-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF Beth Israel Deaconess Medical Center (US) 2016-09-07 EP disclosed
WO-2015066290-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2015-05-07 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 (3 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-11077210-B2 Near-infrared fluorescent contrast bioimaging agents and methods of use thereof CD68, MSR1, CD47 ESR1 3047/4885ESR2 1463/4885PDE3B 1611/4885
US-20220387631-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 ESR1 3047/4885ESR2 1463/4885PDE3B 1611/4885
US-20160263249-A1 NEAR-INFRARED FLUORESCENT CONTRAST BIOIMAGING AGENTS AND METHODS OF USE THEREOF CD68, MSR1, CD47 ESR1 3047/4885ESR2 1463/4885PDE3B 1611/4885

“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.