SCHEMBL5832985

SCHEMBL5832985

CC(C)NC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CPB2 Q96IY4 7/20 0.34
CPB1 P15086 1/20 0.34
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30

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
SCHEMBL16750036 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1GRNSORT1
SCHEMBL5833197 1.00 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1GRNSORT1
SCHEMBL8254490 0.90 MMEL1 (0.36) SMN1; SMN2CPB2CPB1
SCHEMBL5869295 0.90 MMEL1 (0.36) SMN1; SMN2CPB2CPB1
SCHEMBL8248702 0.90 MMEL1 (0.36) SMN1; SMN2CPB2CPB1
SCHEMBL16290057 0.88 CPB2 (0.33) SMN1; SMN2CPB2CPB1
SCHEMBL13233704 0.88 MAP3K7 (0.32)
SCHEMBL8248643 0.87 ACE2 (0.41) GRNSORT1
SCHEMBL5870160 0.87 ACE2 (0.41) GRNSORT1
SCHEMBL30087493 0.87 SMN1; SMN2 (0.35) SMN1; SMN2CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20220054636-A1 Chlorin Derivatives or Pharmaceutically Acceptable Salts Thereof, Preparation Method and Use Thereof, and Combination Thereof with an Ultrasonic Medical System GUANGZHOU EEC BIOTECH DEVELOPMENT CO., LTD. (CN) 2022-02-24 US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
EP-3148973-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF Tetrahedron (FR) 2017-04-05 EP disclosed
WO-2015181507-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF TETRAHEDRON (FR) 2015-12-03 WO disclosed
US-6989448-B2 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN 2006-01-24 US disclosed
US-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6469038-B1 CALCIUM CHANNEL BLOCKERS THAT CAN BLOCK N-TYPE CALCIUM CHANNELS AND CAN BE USED TO TREAT STROKE, PAIN, CEREBRAL ISCHEMIA, HEAD TRAUMA, ASTHMA, AMYOTROPIC LATERAL SCLEROSIS, AND EPILEPSY WARNER-LAMBERT COMPANY 2002-10-22 US disclosed
US-6166052-A Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers WARNER-LAMBERT COMPANY (US) 2000-12-26 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-20030060419-A1 Heteroaryl alkyl alpha substituted peptidylamine calcium channel blockers CACNA1C, CACNA1I, CACNA1S SMN1; SMN2 715/4885CPB2 1471/4885CPB1 882/4885
US-20220054636-A1 Chlorin Derivatives or Pharmaceutically Acceptable Salts Thereof, Preparation Method and Use Thereof, and Combination Thereof with an Ultrasonic Medical System STAT6, JAK3, JAK1 SMN1; SMN2 4140/4885CPB2 555/4885CPB1 627/4885
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B SMN1; SMN2 292/4885CPB2 1711/4885CPB1 2181/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B SMN1; SMN2 292/4885CPB2 1711/4885CPB1 2181/4885

“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.