SCHEMBL7218181

SCHEMBL7218181

CN(CCc1ccc(I)cc1)CCN1CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.97
SLC6A4 P31645 3/20 0.70
SLC6A3 Q01959 3/20 0.70
SLC6A2 P23975 1/20 0.70
TP53 P04637 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
TSHR P16473 2/20 0.64
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
CYP3A4 P08684 1/20 0.64
GRIN1 Q05586 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64

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
SCHEMBL7536460 0.98 SIGMAR1 (1.00) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL7217896 0.85 SIGMAR1 (0.97) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL791606 0.84 SIGMAR1 (0.97) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL7332913 0.83 SIGMAR1 (1.00) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL12648455 0.78 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL3856961 0.78 HRH3 (0.68) SIGMAR1SLC6A3CYP1A2CYP3A4
SCHEMBL7427824 0.77 SIGMAR1 (0.74) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL678162 0.77 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2CYP2D6TSHR
SCHEMBL7218599 0.76 SIGMAR1 (0.59) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL791946 0.76 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US disclosed
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
EP-1255567-A1 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES Drug Innovation & Design, Inc. (US) 2002-11-13 EP 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
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 WO 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-5919934-A BISAMINOTHIOL AND AMINO COMPOUNDS WITH APPENDED PHARMACOPHORES, METAL COMPLEXES OF THESE COMPOUNDS; THE GEORGE WASHINGTON UNIVERSITY (US) 1999-07-06 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 (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-20010006619-A1 Compounds for cancer imaging and therapy SIGMAR1, TMEM97, ADRB3 SIGMAR1 1/4885SLC6A4 99/4885SLC6A3 133/4885
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 SIGMAR1 1368/4885SLC6A4 1177/4885SLC6A3 963/4885

“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.