SCHEMBL6414562

SCHEMBL6414562

CC1(C)OC(=O)C(=CC(=O)N(Cc2ccc(F)cc2)Cc2ccc3ccccc3c2)O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
MC4R P32245 1/20 0.38
MC3R P41968 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F7 P08709 1/20 0.38
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSPO P30536 1/20 0.35

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
SCHEMBL6414556 1.00 MAPK14 (0.40) MAPK14MC4RMC3RF2F10
SCHEMBL6430802 0.85 TRPV1 (0.38) MC4RMC3RACHE
SCHEMBL6430801 0.85 TRPV1 (0.38) MC4RMC3RACHE
SCHEMBL6412353 0.81 MAPT (0.55) LMNATDP1MAPTALDH1A1TSHR
SCHEMBL6412357 0.81 MAPT (0.55) LMNATDP1MAPTALDH1A1TSHR
SCHEMBL6411753 0.81 TP53 (0.42) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL6411755 0.81 TP53 (0.42) LMNAMAPTALDH1A1KDM4EHTT
SCHEMBL6414120 0.80 BCL2A1 (0.48) MAPTALDH1A1TSHR
SCHEMBL6414125 0.80 BCL2A1 (0.48) MAPTALDH1A1TSHR
SCHEMBL6077514 0.79 ALDH1A1 (0.38) LMNATDP1MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 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 (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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 MAPK14 3000/4885MC4R 4371/4885MC3R 2831/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPK14 2592/4885MC4R 4299/4885MC3R 3421/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MAPK14 2592/4885MC4R 4299/4885MC3R 3421/4885

“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.