SCHEMBL467592

SCHEMBL467592

O=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)Oc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.64
KMT2A Q03164 2/20 0.60
EPHX2 P34913 4/20 0.53
CYP2C9 P11712 1/20 0.53
MEN1 O00255 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
EPHX1 P07099 2/20 0.50
SCN5A Q14524 1/20 0.50
FFAR1 O14842 1/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49

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
SCHEMBL19281135 0.87 HSD11B1 (0.64) SIGMAR1KMT2AEPHX2MEN1NPSR1
SCHEMBL19281133 0.87 KMT2A (0.54) SIGMAR1KMT2AEPHX2MEN1NPSR1
SCHEMBL20616624 0.87 KMT2A (0.73) SIGMAR1KMT2AEPHX2NPSR1HRH3
SCHEMBL16496527 0.85 KMT2A (0.51) SIGMAR1KMT2AMEN1NPSR1
SCHEMBL19281139 0.84 TRPM8 (0.55) SIGMAR1KMT2AMEN1NPSR1
SCHEMBL2454627 0.83 KMT2A (0.46) SIGMAR1KMT2AMEN1NPSR1
SCHEMBL16496337 0.82 ACACB (0.56) KMT2ANPSR1
SCHEMBL7845729 0.82 KMT2A (0.61) SIGMAR1KMT2AEPHX2CYP2C9HRH3
SCHEMBL14972881 0.82 EPHX2 (0.57) SIGMAR1KMT2AEPHX2CYP2C9HRH3
SCHEMBL4509653 0.82 EPHX2 (0.60) SIGMAR1KMT2AEPHX2CYP2C9HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2006-11-30 US disclosed
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION 2005-07-21 US 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 (6 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 SIGMAR1 1364/4885KMT2A 2425/4885EPHX2 2498/4885
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 SIGMAR1 27/4885KMT2A 2918/4885EPHX2 868/4885
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 SIGMAR1 27/4885KMT2A 2918/4885EPHX2 868/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 SIGMAR1 2142/4885KMT2A 1990/4885EPHX2 1407/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 SIGMAR1 1260/4885KMT2A 2130/4885EPHX2 3139/4885
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 SIGMAR1 27/4885KMT2A 2918/4885EPHX2 868/4885

“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.