SCHEMBL3267985

SCHEMBL3267985

Cc1nc(Cl)c(C2OCCO2)s1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL859949 0.82 NPC1 (0.32) NPC1RAB9A
SCHEMBL3269312 0.77 NPC1 (0.39) NPC1RAB9A
SCHEMBL16995085 0.74 ALDH1A1 (0.37) NPC1RAB9A
SCHEMBL19945626 0.73
SCHEMBL19945625 0.72
SCHEMBL12035804 0.72 ALDH1A1 (0.33)
SCHEMBL1503828 0.71 HPGD (0.37)
SCHEMBL25409486 0.68 TSHR (0.44) NPC1RAB9A
SCHEMBL21132564 0.65 NPC1 (0.35) NPC1RAB9A
SCHEMBL19185762 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787430-B2 Hemoglobin modifier compounds and uses thereof FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-29 US disclosed
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-10-31 US disclosed
WO-2017218960-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2017-12-21 WO disclosed
WO-2010142934-A1 INDOLE DERIVATIVES AS LIGANDS OF CRTH2 RECEPTORS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-16 WO disclosed
EP-1735302-B1 4-AMINO-PIPERIDINE DERIVATIVES AS MONOAMINE UPTAKE INHIBITORS LILLY CO ELI (US) 2010-06-16 EP disclosed
US-7521462-B2 4-Amino-piperidine derivatives as monoamine uptake inhibitors ELI LILLY AND COMPANY (US) 2009-04-21 US disclosed
US-20070093526-A1 4-Amino-piperidine derivatives as monoamine uptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-26 US disclosed
EP-1735302-A1 4-AMINO-PIPERIDINE DERIVATIVES AS MONOAMINE UPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092885-A1 4-AMINO-PIPERIDINE DERIVATIVES AS MONOAMINE UPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-06 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 (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-20070093526-A1 4-Amino-piperidine derivatives as monoamine uptake inhibitors SLC18A2, SLC6A2, SLC6A3 NPC1 441/4885RAB9A 1140/4885
US-20190330181-A1 HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF HBB, HBG1, HBG2 NPC1 2587/4885RAB9A 3233/4885
US-10787430-B2 Hemoglobin modifier compounds and uses thereof HBB, HBG1, HBG2 NPC1 2587/4885RAB9A 3233/4885

“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.