SCHEMBL5998334

SCHEMBL5998334

N#CC(c1ccccc1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
TSHR P16473 2/20 0.41
TRPA1 O75762 1/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 2/20 0.39
GPR3 P46089 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR2A P28223 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 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
SCHEMBL3425358 0.75 GPR3 (0.41) TSHRTRPA1POLBMEN1KMT2A
SCHEMBL3157929 0.73 MEN1 (0.52) TSHRPOLBMEN1KMT2AATM
SCHEMBL28956524 0.70 HTR2A (0.39) TSHRPOLBMEN1KMT2AATM
SCHEMBL10455242 0.69 MEN1 (0.53) TSHRPOLBMEN1KMT2AATM
Hydrochloric Acid SCHEMBL8677554 0.69 MEN1 (0.44) TSHRPOLBMEN1KMT2AATM
Hydrochloric Acid SCHEMBL8676449 0.69 MEN1 (0.44) TSHRPOLBMEN1KMT2AATM
SCHEMBL12259452 0.69 CYP1A2 (0.46) TSHRPOLBMEN1KMT2AATM
SCHEMBL7355279 0.69 CHRNB4 (0.53) CHRNB4CHRNA3TSHRTRPA1
SCHEMBL27887187 0.69 MEN1 (0.44) TSHRPOLBMEN1KMT2AATM
Hydrochloric Acid SCHEMBL8676454 0.69 MEN1 (0.44) TSHRPOLBMEN1KMT2AATM

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-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US disclosed
CN-1123564-C Anti-inflammatory compounds ORTHO MCNEIL PHARMACEUTICAL CO (US) 2003-10-08 CN disclosed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
CN-1249742-A Anti-inflammatory compounds ORTHO MCNEIL PHARMACEUTICAL CO (US) 2000-04-05 CN disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 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 (3 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-20040082601-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 CHRNB4 4634/4885CHRNA3 4557/4885TSHR 4802/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO CHRNB4 3201/4885CHRNA3 2936/4885TSHR 3768/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 CHRNB4 4634/4885CHRNA3 4557/4885TSHR 4802/4885

“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.