SCHEMBL3494980

SCHEMBL3494980

CCN(Cc1cn(Cc2ccc(F)cc2)c2cnc3c(=O)n(O)ccc3c12)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CNR2 P34972 8/20 0.36
▸ CNR1 P21554 7/20 0.36
▸ FAAH O00519 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ REN P00797 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PDE1A P54750 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
SCHEMBL4962820 0.85 KDM4E (0.37) RXFP1KDM4EALDH1A1MEN1LMNA
SCHEMBL3496366 0.84 HDAC1 (0.38) KDM4EALDH1A1MEN1LMNAMAPT
SCHEMBL3496779 0.83 KDM4E (0.36) KDM4EALDH1A1CYP3A4MEN1LMNA
SCHEMBL13407107 0.81 ALDH1A1 (0.38) KDM4EALDH1A1MEN1LMNAHPGD
SCHEMBL3495755 0.81 MEN1 (0.41) RXFP1KDM4EALDH1A1MEN1MAPT
SCHEMBL14506516 0.81 RXFP1 (0.34) RXFP1CNR2CNR1PDE1APDE1B
SCHEMBL3494652 0.81 CACNB4 (0.40) KDM4EALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL3494327 0.80 RXFP1 (0.36) RXFP1CNR2CNR1FAAHKDM4E
SCHEMBL4964868 0.80 CYP19A1 (0.39) CNR2KDM4EALDH1A1MEN1LMNA
SCHEMBL3494708 0.80 MCHR1 (0.33) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME 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 (2 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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP RXFP1 4857/4885CNR2 4853/4885CNR1 4739/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP RXFP1 4857/4885CNR2 4853/4885CNR1 4739/4885

“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.

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