Sugi Predict

Sugi Predict / Compounds / SCHEMBL906156

SCHEMBL906156

SCHEMBL906156

CCCC(N)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.43
▸ SLC6A4 P31645 3/20 0.40
▸ GRM8 O00222 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ TACR1 P25103 3/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ CACNA1C Q13936 2/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CACNA1F O60840 1/20 0.37
▸ CACNA1D Q01668 1/20 0.37
▸ CACNA1S Q13698 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ KCNK2 O95069 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ MC4R P32245 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
SCHEMBL3602797 1.00 PDE2A (0.43) PDE2ASLC6A4GRM8GRM4SLC2A1
SCHEMBL3595268 1.00 PDE2A (0.43) PDE2ASLC6A4GRM8GRM4SLC2A1
SCHEMBL9950997 0.95 KIF11 (0.46) PDE2AKIF11
SCHEMBL23891920 0.89 SLC2A1 (0.47) PDE2AGRM8GRM4SLC2A1TACR1
SCHEMBL1729340 0.89 SLC2A1 (0.47) PDE2AGRM8GRM4SLC2A1TACR1
SCHEMBL1727664 0.89 SLC2A1 (0.47) PDE2AGRM8GRM4SLC2A1TACR1
SCHEMBL3171890 0.84 SLC6A4 (0.52) PDE2ASLC6A4TACR1TAAR1KIF11
SCHEMBL1729033 0.84 SLC6A4 (0.52) PDE2ASLC6A4TACR1TAAR1KIF11
SCHEMBL16649593 0.84 SLC6A2 (0.50) SLC6A4GRM8GRM4TACR1TAAR1
SCHEMBL1727842 0.84 SLC6A4 (0.52) PDE2ASLC6A4TACR1TAAR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-03-31 — — US disclosed
CN-113660983-A Carbamate derivatives and uses thereof 诺瑟拉有限公司 2021-11-16 — — CN disclosed
WO-2020152361-A1 CARBAMATE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2020-07-30 — — WO disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 — — US disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 — — US disclosed
US-9732046-B2 Substituted 1,2,4-triazines as tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD. (US) 2017-08-15 — — US disclosed
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 — — EP disclosed
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 — — EP disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 — — US disclosed
US-20160031835-A1 TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY LTD. 2016-02-04 — — US disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 — — US disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 — — US disclosed
EP-1748982-B1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2009-07-29 — — EP disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 — — US disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 — — US disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 — — US disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 — — US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 — — US disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 — — US disclosed
WO-2005108362-A1 (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2005-11-17 — — 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 (5 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-20070082894-A1 Pyrazine-based tubulin inhibitors TUBB1, TUBA1C, TUBB PDE2A 2106/4885SLC6A4 1832/4885GRM8 4500/4885
US-20160031835-A1 TUBULIN INHIBITORS TUBB1, TUBB3, TUBA1C PDE2A 3114/4885SLC6A4 4479/4885GRM8 3624/4885
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT PDE2A 1534/4885SLC6A4 478/4885GRM8 1069/4885
US-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C PDE2A 3130/4885SLC6A4 4446/4885GRM8 3566/4885
US-20220098159-A1 CARBAMATE DERIVATIVES AND USES THEREOF CASP1, IL1B, PYCARD PDE2A 900/4885SLC6A4 4855/4885GRM8 3308/4885

“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.