SCHEMBL14827779

SCHEMBL14827779

Cc1c[nH]c2ccc(C(C)C)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.57
▸ HTR1B P28222 3/20 0.54
▸ HTR2A P28223 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ LMNA P02545 1/20 0.44
▸ TRPA1 O75762 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ LCK P06239 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
SCHEMBL14555321 0.87 ATM (0.47) HTR1DHTR1BHTR2AATMKIF11
SCHEMBL10147746 0.85 KIF11 (0.49) HTR1DHTR1BHTR2AATMLMNA
Ethoxycarbonyl Group SCHEMBL27719083 0.83 HTR1D (0.46) HTR1DHTR1BHTR2AATMTRPA1
SCHEMBL20077509 0.82 HTR1D (0.44) HTR1DHTR1BHTR2AATMGAA
SCHEMBL15912345 0.81 HTR1D (0.57) HTR1DHTR1BHTR2AKDM4EGAA
SCHEMBL18713928 0.80 ATM (0.44) HTR1DHTR1BHTR2AATMLMNA
SCHEMBL12376509 0.79 HTR1D (0.55) HTR1DHTR1BHTR2AKDM4EGAA
SCHEMBL15701663 0.79 HTR1D (0.55) HTR1DHTR1BHTR2AKDM4EGAA
SCHEMBL22479037 0.79 HTR1D (0.55) HTR1DHTR1BHTR2ALMNAKDM4E
SCHEMBL21127664 0.77 HTR1D (0.53) HTR1DHTR1BHTR2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 — — US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 — — US disclosed
US-11369611-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2022-06-28 — — US disclosed
US-20220185831-A1 STAT3 PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-06-16 — — US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 — — US disclosed
US-20200323854-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2020-10-15 — — US disclosed
US-10758539-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-09-01 — — US disclosed
US-20190216812-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2019-07-18 — — US disclosed
US-20180118751-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 — — US disclosed
US-9833453-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-12-05 — — US disclosed
US-20130085238-A1 BIOCOMPATIBLE POLYMERS FOR MEDICAL DEVICES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-04-04 — — 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 (8 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-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB HTR1D 2935/4885HTR1B 3821/4885HTR2A 2851/4885
US-20180118751-A1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIK5, GRIN1, GRIN3A HTR1D 442/4885HTR1B 490/4885HTR2A 332/4885
US-10758539-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 HTR1D 4050/4885HTR1B 2534/4885HTR2A 3366/4885
US-11369611-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 HTR1D 4050/4885HTR1B 2534/4885HTR2A 3366/4885
US-20220185831-A1 STAT3 PROTEIN DEGRADERS STAT3, JAK2, STAT5A HTR1D 3677/4885HTR1B 2325/4885HTR2A 1998/4885
US-20190216812-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 HTR1D 4050/4885HTR1B 2534/4885HTR2A 3366/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C HTR1D 4169/4885HTR1B 3381/4885HTR2A 2959/4885
US-20200323854-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 HTR1D 4050/4885HTR1B 2534/4885HTR2A 3366/4885

“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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