SCHEMBL842526

SCHEMBL842526

CCCCNCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.55
GNAI3 P08754 2/20 0.55
GNAO1 P09471 2/20 0.55
GNAI1 P63096 2/20 0.55
CYP1A2 P05177 1/20 0.52
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43

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
SCHEMBL11922714 0.98 SAT1 (0.57) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL27382583 0.94 GNAI3 (0.62) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL8515191 0.94 GNAI3 (0.62) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL24062846 0.93 SAT1 (0.57) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL28709614 0.92 GNAI3 (0.66) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL11576183 0.92 GNAI3 (0.66) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL8603624 0.92 GNAI3 (0.66) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL28997937 0.92 GNAI3 (0.66) SAT1GNAI3GNAO1GNAI1CYP1A2
SCHEMBL11922711 0.91 GNAI3 (0.65) SAT1GNAI3GNAO1GNAI1CYP1A2
Acetic Acid SCHEMBL5891651 0.91 KDM4E (0.49) SAT1GNAI3GNAO1GNAI1CYP1A2

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
CN-109563085-A piperidine CXCR7 receptor modulators 爱杜西亚药品有限公司 2019-04-02 CN disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
EP-2308510-B1 Agent for regeneration and/or protection of nerves ONO PHARMACEUTICAL CO (JP) 2016-03-16 EP disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-8673889-B2 BLT2-mediated disease, BLT2 binding agent and the compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-18 US disclosed
US-8604207-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-10 US disclosed
US-8501793-B2 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-06 US disclosed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 US disclosed
US-20070135402-A1 Azetidine ring compounds and drugs comprising the same ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 US disclosed
US-20070129327-A1 Blood flow promoters for cauda equina tissues ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1790637-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-1745800-A1 NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-24 EP disclosed
EP-1698375-A1 AZETIDINE RING COMPOUNDS AND DRUGS COMPRISING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20060194797-A1 Condensed ring compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1661892-A1 CONDENSED RING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP disclosed
EP-1623721-A1 EFFECTOR CELL FUNCTION INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-08 EP disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP 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 (8 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-20070129327-A1 Blood flow promoters for cauda equina tissues PTGFR, PTGIS, PTGIR SAT1 2539/4885GNAI3 754/4885GNAO1 763/4885
US-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 SAT1 597/4885GNAI3 405/4885GNAO1 2302/4885
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 SAT1 2431/4885GNAI3 300/4885GNAO1 750/4885
US-20070135402-A1 Azetidine ring compounds and drugs comprising the same EDNRA, LIPG, EDNRB SAT1 1989/4885GNAI3 1616/4885GNAO1 1398/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 SAT1 597/4885GNAI3 405/4885GNAO1 2302/4885
US-20130143934-A1 AGENT FOR REGENERATION AND/OR PROTECTION OF NERVES PTGER3, PTGER2, PTGER1 SAT1 4532/4885GNAI3 476/4885GNAO1 939/4885
US-20060194797-A1 Condensed ring compound and use thereof CYSLTR2, CYSLTR1, LTB4R2 SAT1 859/4885GNAI3 1745/4885GNAO1 2372/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 SAT1 3728/4885GNAI3 222/4885GNAO1 383/4885

“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.