SCHEMBL20375475

SCHEMBL20375475

CC(C)Cc1ccn(C(C)C)c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.43
▸ PTGS2 P35354 5/20 0.42
▸ AOC2 O75106 1/20 0.39
▸ GABRA1 P14867 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CGAS Q8N884 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ PTGS1 P23219 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ CXCR1 P25024 2/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ ALB P02768 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL23266882 0.83 PTGS2 (0.44) ACACBPTGS2AOC2MAPTCGAS
SCHEMBL23094427 0.81 PTGS2 (0.46) ACACBPTGS2AOC2CGAS
SCHEMBL22251907 0.80 ACACB (0.38) ACACBPTGS2AOC2MAPTCGAS
SCHEMBL17877179 0.79 GABRA1 (0.39) PTGS2GABRA1GABRB2MEN1POLB
SCHEMBL19124505 0.78 GABRA1 (0.42) PTGS2GABRA1GABRB2MEN1POLB
SCHEMBL22381370 0.73 AOC2 (0.36) ACACBPTGS2AOC2CGAS
SCHEMBL1106467 0.72 KDM4E (0.39) ACACBPTGS2AOC2POLBALDH1A1
SCHEMBL17014806 0.71 PTGS2 (0.41) ACACBPTGS2AOC2PTGS1ALOX5
SCHEMBL12890143 0.71 PTGS2 (0.41) ACACBPTGS2AOC2MEN1POLB
SCHEMBL589332 0.71 PTGS2 (0.38) ACACBPTGS2AOC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 — — US disclosed
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-11-28 — — US disclosed
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2021-09-09 — — US disclosed
US-11040955-B2 Inhibitors of (alpha-v)(beta-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-22 — — US disclosed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 — — US disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 — — 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 (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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC ACACB 502/4885PTGS2 855/4885AOC2 566/4885
US-20210276975-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ACACB 2174/4885PTGS2 3302/4885AOC2 4300/4885
US-11827621-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ACACB 2363/4885PTGS2 3551/4885AOC2 4267/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC ACACB 502/4885PTGS2 855/4885AOC2 566/4885
US-11040955-B2 Inhibitors of (alpha-v)(beta-6) integrin ITGB6, ITGA6, ITGAV ACACB 2174/4885PTGS2 3302/4885AOC2 4300/4885

“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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