SCHEMBL3259718

SCHEMBL3259718

c1cnc(OC2CCNC2)c(Oc2cccnc2OC2CCNC2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 14/20 0.58
▸ SLC6A2 P23975 14/20 0.58
▸ CHRNB2 P17787 2/20 0.52
▸ CHRNA4 P43681 2/20 0.52
▸ SLC6A4 P31645 6/20 0.46
▸ SLC6A3 Q01959 3/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45

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
SCHEMBL19703314 0.88 HTR1A (0.53) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL29994798 0.82 HTR1A (0.61) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL5476116 0.82 HTR1A (0.61) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL30037140 0.82 CHRNB2 (0.52) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL23702833 0.82 CHRNB2 (0.52) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL23702832 0.82 CHRNB2 (0.52) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL26620564 0.82 HTR1A (0.61) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
SCHEMBL23703021 0.82 HTR1A (0.61) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
Hydrochloric Acid SCHEMBL5682201 0.81 HTR1A (0.60) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4
Hydrochloric Acid SCHEMBL29994939 0.81 HTR1A (0.60) HTR1ASLC6A2CHRNB2CHRNA4SLC6A4

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
EP-1558246-B1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LTD (GB) 2010-05-19 — — EP disclosed
US-7659305-B2 4-carbo- or heterocyclic alkyl-, oxy-, amino-, and thio-substituted; e.g., 2S, 4S)-4-(3-Chloro-phenoxy)-pyrrolidine-2-carboxylic acid; controlling neurotransmitter release; uses include general treatment of pain, particularly neuropathic pain. PFIZER INC. (US) 2010-02-09 — — US disclosed
EP-1558246-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT Pfizer Limited (GB) 2005-08-03 — — EP disclosed
US-20040132801-A1 Therapeutic proline derivatives RAWSON DAVID JAMES (GB) 2004-07-08 — — US disclosed
WO-2004039367-A1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LIMITED (GN) 2004-05-13 — — WO disclosed
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 — — US disclosed
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 — — US disclosed
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission LIN NAN-HORNG (US) 2002-10-17 — — US disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 — — EP disclosed
EP-1212319-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2002-06-12 — — EP disclosed
WO-2001019817-A3 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2002-01-17 — — WO disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 — — WO disclosed
WO-2001019817-A2 3-PYRROLIDINYLOXY-3'-PYRIDYL ETHER COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-03-22 — — 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-20040132801-A1 Therapeutic proline derivatives PRRC2C, SLC6A7, FAAH HTR1A 58/4885SLC6A2 141/4885CHRNB2 2137/4885
US-20020151712-A1 3-pyrrolidinyloxy-3'-pyridyl ether compounds useful for controlling chemical synaptic transmission GAP43, SLC18A2, GABRE HTR1A 529/4885SLC6A2 105/4885CHRNB2 16/4885

“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.

Send feedback