SCHEMBL6414968

SCHEMBL6414968

CC(=O)N(CCCc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
LPAR1 Q92633 4/20 0.48
LMNA P02545 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.46
MC4R P32245 1/20 0.46
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
MMP3 P08254 1/20 0.45
FOLH1 Q04609 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
FNTA P49354 1/20 0.44
PGGT1B P53609 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6411621 0.93 LMNA (0.50) LPAR1LMNAFOLH1CA12CA1
SCHEMBL10399412 0.86 LMNA (0.56) MCHR1LPAR1LMNACA12CA1
SCHEMBL6414593 0.83 EGFR (0.47) MCHR1LPAR1LMNA
SCHEMBL6417877 0.81 CA12 (0.46) MCHR1LPAR1LMNALTB4R2MC4R
SCHEMBL6417881 0.81 CA12 (0.46) MCHR1LPAR1LMNALTB4R2MC4R
SCHEMBL28740692 0.80 POLB (0.51) LPAR1LMNA
SCHEMBL6078000 0.77 LMNA (0.55) MCHR1LMNAMEN1KMT2A
SCHEMBL13354319 0.77 TDP1 (0.59) LMNA
SCHEMBL2186353 0.76 RCE1 (0.56) LPAR1LMNACA12CA1CA2
SCHEMBL6420078 0.76 LMNA (0.50) LMNAMEN1RAB9AKMT2A

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 7 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
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 MCHR1 1820/4885LPAR1 2529/4885LMNA 1674/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MCHR1 1789/4885LPAR1 2453/4885LMNA 2376/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 MCHR1 1789/4885LPAR1 2453/4885LMNA 2376/4885

“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.