SCHEMBL4802934

SCHEMBL4802934

C[C@@H](NCc1cn(Cc2ccc(F)cc2F)c2cnc(C(=O)NO)cc12)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ACKR3 P25106 2/20 0.35
GRIN2B Q13224 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
PPARG P37231 5/20 0.34
MET P08581 1/20 0.34
CHRM1 P11229 1/20 0.34
HSD11B1 P28845 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL4804070 0.85 GRIN2B (0.39) FSCN1RXFP1SIGMAR1GRIN2B
SCHEMBL4807506 0.85 PPARG (0.37) FSCN1PPARGMET
SCHEMBL4806669 0.84 PPARG (0.40) FSCN1PPARGMET
SCHEMBL4806499 0.84 TRPV3 (0.39) FSCN1PPARG
SCHEMBL4799992 0.83 PPARG (0.43) FSCN1PPARG
SCHEMBL4807596 0.82 PPARG (0.38) FSCN1PPARGMET
SCHEMBL4804480 0.82 BCHE (0.42) FSCN1HTR2ASIGMAR1ACKR3GRIN2B
SCHEMBL2943245 0.82 FSCN1 (0.42) FSCN1PPARGMET
SCHEMBL4805012 0.81 P2RX3 (0.41) FSCN1SIGMAR1GRIN2BCHRM1
SCHEMBL4799915 0.81 TRPV3 (0.38) FSCN1PPARGMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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 (1 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP FSCN1 4841/4885HTR2A 4678/4885HTR2C 4530/4885

“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.