SCHEMBL1422638

SCHEMBL1422638

Fc1cccc(-c2noc(-c3cccnc3)n2)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.63
▸ CHRNA5 P30532 2/20 0.63
▸ CHRNA4 P43681 2/20 0.63
▸ POLB P06746 2/20 0.62
▸ SMN1; SMN2 Q16637 9/20 0.60
▸ TP53 P04637 6/20 0.60
▸ ALDH1A1 P00352 8/20 0.55
▸ MAPT P10636 5/20 0.55
▸ TSHR P16473 5/20 0.55
▸ RAB9A P51151 9/20 0.54
▸ HPGD P15428 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ S1PR1 P21453 1/20 0.54
▸ NPC1 O15118 7/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ PKM P14618 1/20 0.53
▸ AHR P35869 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52

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
Hydrochloric Acid SCHEMBL1423329 0.99 CHRNB2 (0.61) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL1423210 0.89 ALDH1A1 (0.66) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL17220443 0.85 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL1422846 0.80 ALDH1A1 (0.74) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL1423249 0.80 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL1422890 0.78 CHRNB2 (1.00) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL1421647 0.78 RAB9A (0.56) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL1422962 0.78 CHRNB2 (0.65) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL1423193 0.77 CHRNB2 (0.83) CHRNB2CHRNA5CHRNA4POLBSMN1; SMN2
SCHEMBL23288103 0.77 SMN1; SMN2 (0.68) CHRNB2CHRNA5CHRNA4POLBSMN1; 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 — — US claimed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 — — EP claimed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 — — EP claimed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 — — EP claimed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 — — EP claimed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 — — EP claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 — — US claimed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 — — WO claimed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 — — US disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 — — EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 — — US disclosed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 — — EP disclosed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 — — US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 — — US disclosed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 — — EP disclosed
WO-2009148452-A1 NOVEL 1,2,4 OXADIAZOLE COMPOUNDS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-10 — — WO disclosed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 — — EP disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 — — US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 — — US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 — — 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 (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-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 CHRNB2 3741/4885CHRNA5 4256/4885CHRNA4 4109/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA5 3/4885CHRNA4 1/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 CHRNB2 5/4885CHRNA5 3/4885CHRNA4 1/4885

“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.

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