SCHEMBL5097407

SCHEMBL5097407

O=C(NC1(c2ccc(O)cc2)CC1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.49
LMNA P02545 2/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
KLK1 P06870 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL15873873 0.88 CTSL (0.47) LMNACTSLCTSBCTSSCA12
SCHEMBL12133695 0.88 SLC6A2 (0.45) LMNACTSLCTSBCTSSCA12
SCHEMBL15330233 0.87 CTSL (0.44) LMNACTSLCTSBCTSSCA12
SCHEMBL11738507 0.87 CTSL (0.46) LMNACTSLCTSBCTSSCA12
Hydrochloric Acid SCHEMBL15873872 0.87 CTSL (0.46) LMNACTSLCTSBCTSSCA12
SCHEMBL2989044 0.86 CTSS (0.56) LMNACTSLCTSBCTSSCA12
SCHEMBL15873928 0.85 CTSL (0.51) LMNACTSLCTSBCTSSSMN1; SMN2
SCHEMBL27875249 0.84 RAB9A (0.49) NPC1RAB9A
SCHEMBL18383469 0.84 CTSB (0.49) LMNACTSLCTSBCTSSCA12
SCHEMBL5948026 0.82 NPC1 (0.51) CTSLCTSBCTSSCA12CA9

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-7314937-B2 Non-imidazole aryl alkylamines compounds as histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses BEAVERS LISA SELSAM (US) 2004-06-10 US disclosed
EP-1379493-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly and Company (US) 2004-01-14 EP disclosed
WO-2002076925-A2 NON-IMIDAZOLE ARYL ALKYLAMINES COMPOUNDS AS HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2002-10-03 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 (1 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-20040110748-A1 Non-imidazole aryl alkylamines compounds as histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 MIF 1337/4885LMNA 4659/4885CTSL 3964/4885

“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.