SCHEMBL7224869

SCHEMBL7224869

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.77
TMEM97 Q5BJF2 3/20 0.77
SLC6A12 P48065 2/20 0.77
MCHR1 Q99705 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
TSHR P16473 1/20 0.77
MAPK1 P28482 1/20 0.77
CYP2C19 P33261 1/20 0.77
KMT2A Q03164 2/20 0.76
DRD4 P21917 5/20 0.75
KCNH2 Q12809 1/20 0.74
MEN1 O00255 1/20 0.74
SLC6A13 Q9NSD5 1/20 0.70
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
PRKAB2 O43741 1/20 0.69
PRKAG1 P54619 1/20 0.69

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
SCHEMBL61848 0.91 TMEM97 (0.83) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL694949 0.91 SIGMAR1 (0.82) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL2233466 0.88 KCNH2 (0.80) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL7218186 0.88 DRD4 (0.86) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL8274001 0.87 MEN1 (0.78) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL2233461 0.87 TMEM97 (0.77) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL1425074 0.87 SIGMAR1 (1.00) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL3366478 0.87 SIGMAR1 (1.00) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL31736417 0.87 MCHR1 (0.77) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2
SCHEMBL27448907 0.86 KMT2A (1.00) SIGMAR1TMEM97SLC6A12MCHR1CYP1A2

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-6517811-B2 Diagnosing a mammal for presence of a tumor by administering compounds such as 125-I-(2-piperidinylaminoethyl)-4-iodobenzamide which have an affinity for cell surface sigma receptors RESEARCH CORPORATION TECHNOLOGIES, INC. 2003-02-11 US disclosed
US-6447748-B1 Benzamide compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. 2002-09-10 US disclosed
US-20010006619-A1 Compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2001-07-05 US disclosed
US-6015543-A DIAGNOSIS OF TUMORS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-01-18 US disclosed
US-5993777-A Benzamide compounds for cancer imaging and therapy RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-11-30 US disclosed
US-5911970-A ANTITUMOR AGENTS AND ANTICARCINOGENIC AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-06-15 US disclosed
EP-0821594-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN, Christy S. (US) 1998-02-04 EP disclosed
WO-1996032968-A1 COMPOUNDS FOR CANCER IMAGING AND THERAPY JOHN CHRISTY S (US) 1996-10-24 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 (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-20010006619-A1 Compounds for cancer imaging and therapy SIGMAR1, TMEM97, ADRB3 SIGMAR1 1/4885TMEM97 2/4885SLC6A12 1226/4885

“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.