Sugi Predict

Sugi Predict / Compounds / SCHEMBL5775046

SCHEMBL5775046

SCHEMBL5775046

COc1cc(F)c(C#N)c(C2CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ VEGFA P15692 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ABCC8 Q09428 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32

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
SCHEMBL5773407 0.94 IKBKB (0.36) TRPV4TAAR1TSHRALDH1A1POLB
SCHEMBL5776290 0.92 PTGDR2 (0.39) TRPV4TAAR1TSHRALDH1A1IKBKB
SCHEMBL5778854 0.90 CSF1R (0.33) TRPV4TAAR1ALDH1A1IKBKBSQOR
SCHEMBL5778419 0.81 MAPKAPK2 (0.40) TSHRALDH1A1POLBMAPK1IKBKB
SCHEMBL186585 0.80 TRPV4 (0.52) TRPV4TAAR1TSHRALDH1A1POLB
SCHEMBL5774696 0.75 IKBKB (0.41) TSHRALDH1A1IKBKBKDM4EHPGD
SCHEMBL25368043 0.75 TAAR1 (0.38) TAAR1ALDH1A1CYP1A2FFAR1
SCHEMBL5776551 0.74 IKBKB (0.40) TSHRALDH1A1IKBKBKDM4EHPGD
SCHEMBL5776479 0.73 PDE4B (0.35) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL2798485 0.73 TAAR1 (0.43) TRPV4TAAR1ALDH1A1SQORPRKACA

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 — — EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 — — US disclosed
EP-1542677-A1 COMBINATIONS OF ATORVASTATIN AND a1, ADRENERGIC RECEPTOR ANTA GONISTS Pfizer Limited (GB) 2005-06-22 — — EP disclosed
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 — — EP disclosed
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists PFIZER INC 2004-07-08 — — US disclosed
WO-2004026300-A1 COMBINATIONS OF ATORVASTATIN AND α1, ADRENERGIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2004-04-01 — — WO disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 — — US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 — — 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 (2 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 TRPV4 1501/4885TAAR1 723/4885TSHR 1410/4885
US-20040132728-A1 Combinations of atorvastatin and alpha1adrenergic receptor antagonists ADRA1A, ADRA1D, ADRB1 TRPV4 722/4885TAAR1 593/4885TSHR 592/4885

“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.