SCHEMBL4129047

SCHEMBL4129047

CC1CC(Nc2ccc(Cl)cc2)c2cc(Cl)ccc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
BRD4 O60885 6/20 0.38
BRD2 P25440 6/20 0.38
BRD3 Q15059 6/20 0.38
TRIM24 O15164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TAF1 P21675 1/20 0.38
CYP2C19 P33261 1/20 0.38
EP300 Q09472 1/20 0.38
BRDT Q58F21 1/20 0.38
PBRM1 Q86U86 1/20 0.38
TAF1L Q8IZX4 1/20 0.38
CREBBP Q92793 1/20 0.38
BRWD1 Q9NSI6 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
SPTLC2 O15270 1/20 0.35
HTR2A P28223 3/20 0.34

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
SCHEMBL4129049 1.00 POLB (0.39) POLBBRD4BRD2BRD3TRIM24
SCHEMBL221467 0.85 BRD4 (0.48) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL221468 0.85 BRD4 (0.48) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL221466 0.85 BRD4 (0.48) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL4196392 0.81 CHRNB2 (0.38) BRD4BRD2BRD3CHRNB2CHRNA4
SCHEMBL6514954 0.81 CHRNB2 (0.38) BRD4BRD2BRD3CHRNB2CHRNA4
SCHEMBL4196389 0.81 CHRNB2 (0.38) BRD4BRD2BRD3CHRNB2CHRNA4
SCHEMBL6514956 0.81 CHRNB2 (0.38) BRD4BRD2BRD3CHRNB2CHRNA4
SCHEMBL4196397 0.81 CHRNB2 (0.38) BRD4BRD2BRD3CHRNB2CHRNA4
SCHEMBL5501901 0.79 BRD4 (0.36) POLBBRD4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229104-B Method for synthesizing tetrahydroquinoline compound by catalyzing arylamine and alpha-keto ester with cyclopentadienyl titanium/Bronsted acid 陕西师范大学 2022-06-07 CN disclosed
CN-108017580-B Method for synthesizing 1,2,3, 4-tetrahydroquinoline compound by decarboxylation of amino acid under catalysis of visible light 河南大学 2021-02-02 CN disclosed
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (4 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 POLB 4317/4885BRD4 1768/4885BRD2 651/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 POLB 4199/4885BRD4 1267/4885BRD2 544/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 POLB 4317/4885BRD4 1768/4885BRD2 651/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 POLB 3769/4885BRD4 1699/4885BRD2 736/4885

“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.