SCHEMBL3960093

SCHEMBL3960093

NC(=O)C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
DPP7 Q9UHL4 1/20 0.55
DRD4 P21917 3/20 0.54
KCNH2 Q12809 1/20 0.54
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.53
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
BACE1 P56817 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
Trifluoroacetic Acid SCHEMBL3962550 0.94 SIGMAR1 (0.51) SIGMAR1DPP7DRD4KCNH2DRD2
SCHEMBL5565673 0.82 EPHX2 (0.51) ALDH1A1
SCHEMBL15577640 0.80 POLB (0.43) KMT2AALDH1A1
SCHEMBL5094770 0.80 ACHE (0.57) SIGMAR1DPP7DRD4KMT2ABCHE
SCHEMBL5230894 0.78 SIGMAR1 (0.74) SIGMAR1DPP7DRD4KCNH2DRD2
SCHEMBL3957212 0.78 ACE (0.48) SIGMAR1DPP7DRD4KMT2ACYP3A4
SCHEMBL7699065 0.78 ACE (0.48) SIGMAR1DPP7DRD4KMT2ACYP3A4
SCHEMBL13453085 0.78 CYP2D6 (0.62) SIGMAR1DPP7DRD4DRD2DRD3
SCHEMBL3960091 0.77 SIGMAR1 (0.64) SIGMAR1DPP7DRD4KCNH2DRD2
SCHEMBL13453086 0.76 TSHR (0.60) SIGMAR1DPP7DRD4CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS SIGMAR1 377/4885DPP7 3092/4885DRD4 139/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SIGMAR1 429/4885DPP7 3046/4885DRD4 125/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS SIGMAR1 421/4885DPP7 2389/4885DRD4 86/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SIGMAR1 429/4885DPP7 3046/4885DRD4 125/4885

“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.