SCHEMBL3758791

SCHEMBL3758791

CC(C)C1(C(C)C)CC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 4/20 0.34
CRBN Q96SW2 1/20 0.31

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
SCHEMBL12679296 0.76 KDM4E (0.32) TSHRNPSR1KDM4ELMNACYP2C19
SCHEMBL13054915 0.75 TSHR (0.38) TSHRNPSR1KDM4ELMNACYP2C19
SCHEMBL23423259 0.73 TSHR (0.45) TSHRNPSR1KDM4ELMNACYP2C19
SCHEMBL19426510 0.69 LMNA (0.48) TSHRNPSR1KDM4ELMNACYP2C19
SCHEMBL13081612 0.69 TSHR (0.50) TSHRNPSR1KDM4ELMNACYP2C19
SCHEMBL12409772 0.67 TOP2A (0.31) TOP2ATOP2BALDH1A1MAPTTDP1
SCHEMBL18136433 0.65 TSHR (0.42) TSHRNPSR1KDM4ELMNACYP2C19
SCHEMBL83878 0.65
SCHEMBL14359632 0.64 TSHR (0.61) TSHRNPSR1KDM4ELMNACYP2C19
SCHEMBL13805603 0.64 TSHR (0.44) TSHRNPSR1KDM4ELMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208941-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS TYRA BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20170283434-A1 NK1 ANTAGONISTS OPKO HEALTH INC (US) 2017-10-05 US disclosed
US-9688693-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2017-06-27 US disclosed
US-9688693-B2 NK1 antagonists OPKO HEALTH, INC. (US) 2017-06-27 US disclosed
US-20140336158-A1 NK1 ANTAGONISTS TERSERA THERAPEUTICS LLC 2014-11-13 US disclosed
US-8883889-B2 Pigment compositions comprising pyrrolo[3,4-c]pyrroles BASF SE (DE) 2014-11-11 US disclosed
EP-2055748-B1 HIGH-CHROMA C.I. PIGMENT RED 254 AND PROCESS FOR PRODUCING THE SAME DAINIPPON INK & CHEMICALS (JP) 2013-04-17 EP disclosed
CN-1553913-B Process for the direct preparation of pyrrolo [3,4-c]pyrroles CIBA SC HOLDING AG 2011-10-05 CN disclosed
US-7837784-B2 High-chroma C.I. Pigment Red 254 and process for producing the same DIC CORPORATION (JP) 2010-11-23 US disclosed
US-20090241802-A1 HIGH-CHROMA C.I. PIGMENT RED 254 AND PROCESS FOR PRODUCING THE SAME DIC CORPORATION (JP) 2009-10-01 US disclosed
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles RUFFIEUX VINCENT 2007-05-24 US disclosed
EP-1425282-B1 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES CIBA SC HOLDING AG (CH) 2007-03-21 EP disclosed
US-7186847-B2 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-03-06 US disclosed
US-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material BASF SE (DE) 2004-12-09 US disclosed
CN-1553913-A Process for the direct preparation of pyrrolo [3,4-c]pyrroles �������⻯ѧƷ�ع����޹�˾ 2004-12-08 CN disclosed
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material CIBA SPECIALTY CHEMICALS CORP. 2004-09-02 US disclosed
EP-1436296-A2 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO 3,4-C]PYRROLES Ciba SC Holding AG (CH) 2004-07-14 EP disclosed
EP-1425282-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES Ciba SC Holding AG (CH) 2004-06-09 EP disclosed
WO-2003022848-A2 PROCESS FOR THE PREPARATION OF DIKETOPYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 WO disclosed
WO-2003022847-A2 PROCESS FOR THE DIRECT PREPARATION OF PYRROLO[3,4-C]PYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-03-20 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-20170283434-A1 NK1 ANTAGONISTS HRH4, CRHR2, HRH2 TSHR 165/4885NPSR1 61/4885KDM4E 3252/4885
US-20240208941-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS FGFR1, FGFR2, FGFR3 TSHR 2777/4885NPSR1 4442/4885KDM4E 1981/4885
US-20140336158-A1 NK1 ANTAGONISTS HRH4, CRHR2, HRH2 TSHR 165/4885NPSR1 61/4885KDM4E 3252/4885
US-20040249162-A1 From a pyrrolidinone compound; coloring high molecular weight material PAXBP1, PAX3, PPOX TSHR 3483/4885NPSR1 685/4885KDM4E 392/4885
US-20070117889-A1 Process for the direct preparation of pyrrolo[3,4-C]pyrroles PAX3, PPOX, FIP1L1 TSHR 4041/4885NPSR1 1283/4885KDM4E 333/4885
US-20040171847-A1 From a pyrrolidinone compound; coloring high molecular weight material MKI67, PAH, PKLR TSHR 1100/4885NPSR1 760/4885KDM4E 301/4885

“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.