SCHEMBL13617610

SCHEMBL13617610

O=C(NC1CCNCC1)c1cn2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TEAD1 P28347 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
PRKAA2 P54646 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
NPC1 O15118 1/20 0.37

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 SCHEMBL4347263 0.99 SCN9A (0.42) SCN9AKDM4ESMN1; SMN2HSD17B10TEAD1
SCHEMBL14649237 0.89 KDM4E (0.47) KDM4ESMN1; SMN2HSD17B10ALDH1A1SUV39H2
SCHEMBL4354125 0.86 GPR119 (0.46) KDM4ESMN1; SMN2HSD17B10SUV39H2PRKAA2
Hydrochloric Acid SCHEMBL14633785 0.86 SCN9A (0.43) SCN9AKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL2509796 0.86 KDM4E (0.52) KDM4ESMN1; SMN2HSD17B10TEAD1PRKAA2
SCHEMBL4341625 0.84 PRKAA2 (0.52) KDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL12226741 0.78 PRKAA2 (0.45) SCN9ATEAD1PRKAA2BCL9CTNNB1
SCHEMBL647679 0.78 SLC6A4 (0.46) SCN9AKDM4EHSD17B10TEAD1ALDH1A1
SCHEMBL4350210 0.77 MAOB (0.48) SCN9ATEAD1UTS2RBCL9CTNNB1
SCHEMBL2507541 0.77 SCN9A (0.44) SCN9ATEAD1PRKAA2UTS2RBCL9

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
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-08-20 US disclosed
US-9062052-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-01-08 US disclosed
US-8871770-B2 Carboxamide compounds and methods for using the same MIDCAP FINANCIAL TRUST 2014-10-28 US disclosed
US-8785449-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140148467-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2014-05-29 US disclosed
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same RIGEL PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8314107-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 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-20140148467-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 SCN9A 3296/4885KDM4E 327/4885SMN1; SMN2 2399/4885

“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.