SCHEMBL1036356

SCHEMBL1036356

COC(=O)c1ccc2c(c1)CN(Cc1ccc(F)cc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.63
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.58
TNF P01375 2/20 0.58
NOD2 Q9HC29 2/20 0.58
NOD1 Q9Y239 2/20 0.58
RAB9A P51151 1/20 0.58
ABCB1 P08183 1/20 0.58
HDAC6 Q9UBN7 2/20 0.54
KDM1A O60341 1/20 0.54
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
ACHE P22303 1/20 0.52
HDAC1 Q13547 1/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.49
PRKAA2 P54646 1/20 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
SCHEMBL20672151 0.88 TNF (0.64) ACACBKMT2AMEN1TNFNOD2
SCHEMBL28114243 0.85 KMT2A (0.60) KMT2AMEN1TNFNOD2NOD1
SCHEMBL1075408 0.85 ACACB (0.60) ACACBKMT2AMEN1TNFNOD2
Hydrochloric Acid SCHEMBL1035271 0.84 KMT2A (0.58) KMT2AMEN1TNFNOD2NOD1
SCHEMBL9950571 0.84 ACACB (0.69) ACACBKMT2AMEN1TNFNOD2
SCHEMBL3968486 0.83 ACACB (0.69) ACACBKMT2AMEN1TNFNOD2
SCHEMBL4517559 0.83 ACACB (0.66) ACACBKMT2AMEN1TNFNOD2
SCHEMBL19609089 0.82 ACACB (0.56) ACACBKMT2AMEN1TNFNOD2
SCHEMBL63617 0.81 NAMPT (0.56) ACACBKMT2AMEN1TNFNOD2
SCHEMBL27816224 0.79 KMT2A (0.58) ACACBKMT2AMEN1TNFNOD2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN disclosed
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-9255085-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2015-08-20 US disclosed
EP-2276761-B1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP 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
EP-2276761-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Rigel Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-11-05 US disclosed
WO-2009132136-A1 CARBOXAMIDE COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-10-29 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 (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 ACACB 144/4885KMT2A 324/4885MEN1 3205/4885
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ACACB 144/4885KMT2A 324/4885MEN1 3205/4885
US-20130023660-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ACACB 144/4885KMT2A 324/4885MEN1 3205/4885
US-20150232451-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ACACB 144/4885KMT2A 324/4885MEN1 3205/4885
US-20090275609-A1 Carboxamide Compounds and Methods for Using The Same PC, AK2, PRKAA2 ACACB 144/4885KMT2A 324/4885MEN1 3205/4885
US-20150011582-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ACACB 144/4885KMT2A 324/4885MEN1 3205/4885

“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.