SCHEMBL2609309

SCHEMBL2609309

CC(C)c1cccc(C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.46
IDH1 O75874 2/20 0.37
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
DRD4 P21917 1/20 0.34
KCNH2 Q12809 1/20 0.34
IDO1 P14902 1/20 0.33
ACACB O00763 1/20 0.32
KDM5A P29375 1/20 0.32
CNR2 P34972 4/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD11B1 P28845 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 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
SCHEMBL23103361 0.88 TLR9 (0.42) CHRNA7
SCHEMBL23006094 0.88 HTR1A (0.44) CHRNA7HTR1ADRD2DRD4KCNH2
SCHEMBL17896353 0.86 HTR1A (0.40) CHRNA7HTR1ADRD2HTR2ADRD4
SCHEMBL16803081 0.86 CHRNA7 (0.40) CHRNA7HTR1ADRD2DRD4KCNH2
SCHEMBL23103107 0.83 CHRNA7 (0.43) CHRNA7HTR1ADRD2DRD4KCNH2
SCHEMBL19120888 0.82 CHRNA7 (0.43) CHRNA7
SCHEMBL23106870 0.82 CHRNA7 (0.42) CHRNA7HTR1ADRD2DRD4KCNH2
SCHEMBL30472085 0.81 CHRNA7 (0.39) CHRNA7CCNT1CDK9
SCHEMBL2540851 0.81 HTR1A (0.43) CHRNA7HTR1ADRD2DRD4KCNH2
SCHEMBL2540850 0.81 HTR1A (0.43) CHRNA7HTR1ADRD2DRD4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-11541055-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2023-01-03 US disclosed
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
CN-114315700-A Cyclopropane compound alpha-C (sp)3) Synthesis method of-H bond derivatization 天津科技大学 2022-04-12 CN disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-11-19 US disclosed
US-10689409-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-9663543-B2 Phosphonate compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9598446-B2 Amino compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-01-19 US disclosed
US-9533991-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-01-03 US disclosed
US-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2016-02-04 US disclosed
US-20150368269-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-24 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 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 (13 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-11541055-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CHRNA7 4798/4885IDH1 208/4885HTR1A 4503/4885
US-20160031891-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK CHRNA7 4354/4885IDH1 2476/4885HTR1A 4182/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CHRNA7 4863/4885IDH1 1170/4885HTR1A 4749/4885
US-20170015671-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK CHRNA7 4354/4885IDH1 2476/4885HTR1A 4182/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CHRNA7 4244/4885IDH1 2734/4885HTR1A 2556/4885
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK CHRNA7 4063/4885IDH1 1647/4885HTR1A 2281/4885
US-20200360384-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CHRNA7 4798/4885IDH1 208/4885HTR1A 4503/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CHRNA7 4207/4885IDH1 2003/4885HTR1A 3009/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 CHRNA7 4718/4885IDH1 3104/4885HTR1A 3572/4885
US-20150368269-A1 Factor IXa Inhibitors F9, TFPI, F13B CHRNA7 4494/4885IDH1 2226/4885HTR1A 3694/4885
US-10689409-B2 Amino compounds for treatment of complement mediated disorders CFD, TFPI, C9 CHRNA7 3964/4885IDH1 4410/4885HTR1A 2640/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH CHRNA7 4791/4885IDH1 4170/4885HTR1A 2977/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 CHRNA7 1478/4885IDH1 4561/4885HTR1A 195/4885

“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.