SCHEMBL4818102

SCHEMBL4818102

CCN(CC)CCNC(=O)c1ccc(OC)c(I)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.73
SIGMAR1 Q99720 1/20 0.73
PRMT5 O14744 1/20 0.58
WDR77 Q9BQA1 1/20 0.58
LMNA P02545 5/20 0.56
KCNH2 Q12809 3/20 0.56
ADRA2A P08913 3/20 0.56
CYP2D6 P10635 3/20 0.56
DRD3 P35462 3/20 0.56
TSHR P16473 2/20 0.56
CYP2C9 P11712 2/20 0.56
DRD2 P14416 2/20 0.56
HTR2B P41595 2/20 0.56
STAT6 P42226 1/20 0.56
ALDH1A1 P00352 4/20 0.56
SLC22A1 O15245 2/20 0.56
ACHE P22303 2/20 0.56
SLC22A2 O15244 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL12447796 0.86 TMEM97 (0.75) TMEM97SIGMAR1PRMT5WDR77LMNA
SCHEMBL12391543 0.85 TMEM97 (1.00) TMEM97SIGMAR1PRMT5WDR77LMNA
SCHEMBL12886873 0.82 TMEM97 (0.70) TMEM97SIGMAR1PRMT5WDR77LMNA
SCHEMBL17816986 0.81 MGLL (0.65) POLBMEN1KMT2A
SCHEMBL11619911 0.79 MCHR1 (0.69) TMEM97SIGMAR1LMNAKCNH2ADRA2A
SCHEMBL31379986 0.79 KMT2A (0.56) TMEM97SIGMAR1LMNAKCNH2ADRA2A
SCHEMBL10379993 0.78 LMNA (0.68) TMEM97SIGMAR1LMNAKCNH2CYP2D6
SCHEMBL1209964 0.78 LMNA (0.72) TMEM97SIGMAR1LMNAKCNH2TSHR
SCHEMBL2442620 0.76 LMNA (0.58) TMEM97SIGMAR1LMNAKCNH2TSHR
SCHEMBL22501758 0.76 ACHE (0.56) LMNAALDH1A1ACHECYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226550-A1 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 US disclosed
US-7321027-B2 Small technetium-99m and rhenium labeled agents and methods for imaging tumors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-01-22 US disclosed
EP-1276718-B1 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS HARVARD COLLEGE (US) 2007-04-18 EP disclosed
US-20040097735-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tumors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2004-05-20 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-20080226550-A1 SMALL TECHNETIUM-99M AND RHENIUM LABELED AGENTS AND METHODS FOR IMAGING TUMORS VHL, MEN1, NRAS TMEM97 3391/4885SIGMAR1 3722/4885PRMT5 22/4885
US-20040097735-A1 Small technetium-99m and rhenium labeled agents and methods for imaging tumors VHL, MEN1, NRAS TMEM97 3391/4885SIGMAR1 3722/4885PRMT5 22/4885

“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.