SCHEMBL20214841

SCHEMBL20214841

CC(C)NC(=N)NCCC[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OTC P00480 1/20 0.49
NOS3 P29474 4/20 0.44
NOS1 P29475 4/20 0.44
NOS2 P35228 4/20 0.44
DDAH1 O94760 1/20 0.43
NOD1 Q9Y239 2/20 0.42
GSR P00390 1/20 0.42
DPP7 Q9UHL4 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ARG2 P78540 4/20 0.39
ARG1 P05089 3/20 0.39
PMP22 Q01453 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL1345201 0.90 PMP22 (0.41) OTCNOS3NOS1NOS2GSR
SCHEMBL5246763 0.90 PMP22 (0.41) OTCNOS3NOS1NOS2GSR
Tilarginine SCHEMBL6370536 0.83 OTC (0.51) OTCNOS3NOS1NOS2DDAH1
Tilarginine SCHEMBL315843 0.83 OTC (0.51) OTCNOS3NOS1NOS2DDAH1
Tilarginine SCHEMBL12028766 0.83 OTC (0.51) OTCNOS3NOS1NOS2DDAH1
SCHEMBL19670848 0.83 DPP7 (0.36) OTCDPP7MEN1KMT2A
SCHEMBL30544568 0.83 OTC (0.48) OTCNOS3NOS1NOS2DDAH1
SCHEMBL1004634 0.82 OTC (0.50) OTCNOS3NOS1NOS2DDAH1
SCHEMBL21089975 0.82 OTC (0.50) OTCNOS3NOS1NOS2DDAH1
SCHEMBL12028765 0.82 OTC (0.50) OTCNOS3NOS1NOS2DDAH1

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-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 US disclosed
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 US disclosed
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2019-06-13 US disclosed
US-9988340-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2018-06-05 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 (3 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-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 OTC 2436/4885NOS3 973/4885NOS1 1845/4885
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI OTC 1129/4885NOS3 558/4885NOS1 608/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 OTC 2436/4885NOS3 973/4885NOS1 1845/4885

“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.