SCHEMBL4804480

SCHEMBL4804480

CN1CCC(NCc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
DDR1 Q08345 2/20 0.40
DDR2 Q16832 2/20 0.40
ACKR3 P25106 1/20 0.39
FSCN1 Q16658 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MET P08581 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GRIN2B Q13224 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
DYRK1A Q13627 1/20 0.36
SSTR4 P31391 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL4805012 0.89 P2RX3 (0.41) BCHEACHEBACE1DDR1DDR2
SCHEMBL4807251 0.87 DGAT2 (0.36) BCHEACHEBACE1FSCN1
SCHEMBL4807266 0.87 BCHE (0.35) BCHEACHEBACE1FSCN1SIGMAR1
SCHEMBL4799895 0.85 HTR6 (0.45) DDR1DDR2FSCN1ALDH1A1KDM4E
SCHEMBL4805060 0.85 BCHE (0.37) BCHEACHEBACE1FSCN1SIGMAR1
SCHEMBL13986825 0.83 CHRM1 (0.44) BCHEACHEBACE1FSCN1ALDH1A1
SCHEMBL4804946 0.83 MEN1 (0.43) ACHEDDR1DDR2FSCN1MET
SCHEMBL2943245 0.83 FSCN1 (0.42) FSCN1METHDAC1HDAC6
SCHEMBL4799799 0.83 ACVR1 (0.44) FSCN1GPBAR1
SCHEMBL4807296 0.82 FSCN1 (0.34) BCHEACHEBACE1ACKR3FSCN1

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-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
WO-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO 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 BCHE 928/4885ACHE 695/4885BACE1 87/4885

“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.