SCHEMBL16996827

SCHEMBL16996827

COc1nccc(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.39
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ SYK P43405 2/20 0.36
▸ NOS3 P29474 2/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS2 P35228 2/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ SQOR Q9Y6N5 1/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 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
SCHEMBL4883101 0.86 CCR1 (0.36) HRH4CCR1CCR5CCR8SYK
SCHEMBL24920392 0.84 CCR1 (0.35) HRH4CCR1CCR5CCR8NOS3
SCHEMBL30947585 0.84 HSD17B10 (0.39) HRH4CCR1CCR5CCR8SYK
SCHEMBL30595643 0.82 HSD17B10 (0.47) CCR1CCR5CCR8SYKHSD17B10
SCHEMBL13485368 0.82 HSD17B10 (0.47) CCR1CCR5CCR8SYKHSD17B10
SCHEMBL22550722 0.82 GAA (0.42) SYKNUDT1
SCHEMBL23516851 0.80 MAPK8 (0.38) SYKCYP1A2NUDT1
SCHEMBL26348831 0.79 MAP4K1 (0.38) SYKMAPK14
SCHEMBL31708110 0.77 FFAR1 (0.33) CCR1CCR5CCR8PDPK1FFAR1
SCHEMBL28696224 0.74 PRKCI (0.34) SYKRAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 — — US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 — — US disclosed
US-20230227429-A1 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-07-20 — — US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 — — US disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 — — US disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 — — WO disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 — — US disclosed
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 — — US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 — — US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 — — US disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 — — US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 — — US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 — — US disclosed
US-20150225422-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-13 — — 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 (11 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB HRH4 3580/4885CCR1 4872/4885CCR5 4877/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF HRH4 1890/4885CCR1 3779/4885CCR5 3623/4885
US-20170305902-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE GRIN2A, GRIN2C, GRIN2B HRH4 44/4885CCR1 2235/4885CCR5 1032/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 HRH4 2035/4885CCR1 4115/4885CCR5 3221/4885
US-20230227429-A1 SULPHONAMIDE COMPOUNDS MLKL, RIPK3, CASP1 HRH4 4594/4885CCR1 4023/4885CCR5 2201/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HRH4 126/4885CCR1 1898/4885CCR5 3288/4885
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 HRH4 1620/4885CCR1 1530/4885CCR5 1826/4885
US-20150225422-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B HRH4 778/4885CCR1 3892/4885CCR5 2011/4885
US-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B HRH4 778/4885CCR1 3892/4885CCR5 2011/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF HRH4 3311/4885CCR1 4281/4885CCR5 1370/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 HRH4 1211/4885CCR1 1305/4885CCR5 242/4885

“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.

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