SCHEMBL3209451

SCHEMBL3209451

CC(=O)NC(C)C.CC(C)NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
MLYCD O95822 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
ACACB O00763 1/20 0.50
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MTNR1A P48039 6/20 0.49
MTNR1B P49286 6/20 0.49
KDM4E B2RXH2 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49

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
SCHEMBL155518 0.92 MLYCD (0.58) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
SCHEMBL24998749 0.92 MLYCD (0.58) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
SCHEMBL29772431 0.92 MLYCD (0.58) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL28544859 0.90 MLYCD (0.56) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
SCHEMBL7522945 0.90 MLYCD (0.56) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL7849680 0.90 MLYCD (0.56) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
Oxalic Acid SCHEMBL30439587 0.88 MLYCD (0.55) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
SCHEMBL4046626 0.86 MLYCD (0.53) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
Formic Acid SCHEMBL15389361 0.85 HPGD (0.56) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A
SCHEMBL13753392 0.85 ALDH1A1 (0.70) ALDH1A1HPGDMLYCDSMN1; SMN2RAB9A

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
EP-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 EP claimed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US claimed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 US claimed
EP-1784400-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2015-01-14 EP disclosed
US-7705025-B2 Histamine H3 receptor agents, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-27 US disclosed
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses FINLEY DON RICHARD 2010-02-04 US disclosed
US-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2009-02-19 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 (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-20090048225-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 ALDH1A1 2678/4885HPGD 1537/4885MLYCD 4646/4885
US-20100029608-A1 Histamine H3 Receptor Agents, Preparation and Therapeutic Uses HRH3, HRH4, HCRTR1 ALDH1A1 2867/4885HPGD 1463/4885MLYCD 4667/4885

“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.