SCHEMBL12293263

SCHEMBL12293263

Cc1ccc2c(C(C)(C)C)c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
NR4A2 P43354 2/20 0.46
CFTR P13569 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
IDO1 P14902 1/20 0.41
KIF11 P52732 3/20 0.40
PCSK9 Q8NBP7 1/20 0.40
NR3C1 P04150 2/20 0.39
NR3C2 P08235 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
HTR1D P28221 1/20 0.38
PIM3 Q86V86 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1102339 0.85 HTR1D (0.49) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL14823129 0.83 HTR2A (0.47) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL20110126 0.82 HTR2A (0.44) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL20110124 0.81 HTR2A (0.54) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL20436345 0.81 HTR2A (0.46) HTR2ANR4A2MEN1KMT2AIDO1
SCHEMBL8957519 0.81 KIF11 (0.49) CFTRMEN1KMT2AKIF11HTR1D
SCHEMBL12293252 0.79 GPR84 (0.53) HTR2AMEN1KMT2A
SCHEMBL21754253 0.79 HTR2C (0.47) HTR2ACFTRMEN1KMT2AHTR1D
SCHEMBL396776 0.79 IMPDH2 (0.46) HTR2ACFTRMEN1KMT2AKIF11
SCHEMBL17591360 0.79 GPR84 (0.53) HTR2ANR4A2CFTRIDO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-8415387-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-09 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-02-07 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8324242-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-12-04 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 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 (10 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-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use HTR2A, HTR2C, HTR2B HTR2A 1/4885NR4A2 460/4885CFTR 2010/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 HTR2A 3255/4885NR4A2 2243/4885CFTR 1/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HTR2A 183/4885NR4A2 1508/4885CFTR 3130/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR2A 3159/4885NR4A2 790/4885CFTR 1/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HTR2A 2838/4885NR4A2 3300/4885CFTR 1210/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR2A 3159/4885NR4A2 790/4885CFTR 1/4885
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HTR2A 3159/4885NR4A2 790/4885CFTR 1/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HTR2A 183/4885NR4A2 1508/4885CFTR 3130/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 HTR2A 3605/4885NR4A2 4047/4885CFTR 3156/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B HTR2A 3698/4885NR4A2 4365/4885CFTR 2777/4885

“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.