SCHEMBL6809047

SCHEMBL6809047

CC[CH]C(=O)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TBXAS1 P24557 2/20 0.33
HTR1A P08908 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GLA P06280 1/20 0.33
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
HSPA5 P11021 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FDPS P14324 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL2321138 0.80
SCHEMBL6809037 0.79
Hydrochloric Acid SCHEMBL26916941 0.79 NPC1 (0.49) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL26916942 0.79 NPC1 (0.49) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL573387 0.76
SCHEMBL7353754 0.76 NPC1 (0.41) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL7574578 0.76 NPC1 (0.46) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL4782317 0.76 NPC1 (0.46) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL7360837 0.75 NPC1 (0.36) NPC1RAB9AKMT2ATBXAS1
Alcohol SCHEMBL6582311 0.75 NPC1 (0.58) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2

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-20040204367-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO. (US) 2004-10-14 US claimed
US-6613880-B2 Autoimmune diseases; inflammatory conditions; competitive binding with Human Leukocyte Antigen displacing disease-inducing endogenous peptides PHARMACIA CORPORATION 2003-09-02 US claimed
US-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO., (US) 2001-10-04 US claimed
US-20040204367-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO. (US) 2004-10-14 US disclosed
US-6613880-B2 Autoimmune diseases; inflammatory conditions; competitive binding with Human Leukocyte Antigen displacing disease-inducing endogenous peptides PHARMACIA CORPORATION 2003-09-02 US disclosed
US-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis G.D. SEARLE & CO., (US) 2001-10-04 US disclosed
WO-1996040753-A1 PIPECOLIC ACID DERIVATIVES OF PROLINE THREONINE AMIDES USEFUL FOR THE TREATMENT OF RHEUMATOID ARTHRITIS G.D. SEARLE & CO. (US) 1996-12-19 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-20010027247-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis ARGLU1, PRR12, PTMS NPC1 4785/4885RAB9A 3045/4885KMT2A 2129/4885
US-20040204367-A1 Pipecolic acid derivatives of proline threonine amides useful for the treatment of rheumatoid arthritis ARGLU1, PRR12, PTMS NPC1 4785/4885RAB9A 3045/4885KMT2A 2129/4885

“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.