SCHEMBL3960091

SCHEMBL3960091

N[C@@H](Cc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.64
DRD4 P21917 3/20 0.60
DRD2 P14416 1/20 0.60
DRD3 P35462 1/20 0.60
KMT2A Q03164 1/20 0.60
DPP7 Q9UHL4 1/20 0.58
KRAS P01116 1/20 0.58
SOS1 Q07889 1/20 0.58
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 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
SCHEMBL7368538 0.89 SLC6A5 (0.61) SIGMAR1KMT2AALDH1A1POLB
SCHEMBL7364841 0.89 SLC6A5 (0.61) SIGMAR1KMT2AALDH1A1POLB
SCHEMBL4846139 0.86 SIGMAR1 (0.60) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL4846164 0.86 SIGMAR1 (0.60) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL6207514 0.86 SIGMAR1 (0.60) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL28750874 0.86 KDM4E (0.55) KMT2AKRASSOS1
SCHEMBL28750876 0.86 KDM4E (0.55) KMT2AKRASSOS1
SCHEMBL4848461 0.86 SIGMAR1 (0.65) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL2317579 0.85 SIGMAR1 (0.64) SIGMAR1DRD4DRD2DRD3KMT2A
SCHEMBL6166506 0.84 TDP1 (0.61) ALDH1A1

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-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
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP 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 377/4885DRD4 139/4885DRD2 187/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SIGMAR1 429/4885DRD4 125/4885DRD2 198/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS SIGMAR1 421/4885DRD4 86/4885DRD2 130/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 SIGMAR1 429/4885DRD4 125/4885DRD2 198/4885

“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.