SCHEMBL3985632

SCHEMBL3985632

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(-c4ccccn4)c32)C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.35
PTGER4 P35408 1/20 0.34
PDE5A O76074 2/20 0.34
FSCN1 Q16658 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
GRM2 Q14416 2/20 0.33
P2RX7 Q99572 2/20 0.32
MME P08473 1/20 0.32
DRD4 P21917 2/20 0.32
MAPT P10636 1/20 0.32
DRD2 P14416 1/20 0.32
PPARG P37231 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32

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
SCHEMBL3985741 0.91 P2RX7 (0.36) PTGER4FSCN1P2RX7
SCHEMBL16253792 0.89 DCTPP1 (0.34) DCTPP1PTGER4PDE5AFSCN1HCRTR1
SCHEMBL3989255 0.85 MAOB (0.35) PTGER4FSCN1P2RX7
SCHEMBL3991213 0.85 TRAP1 (0.34) PTGER4FSCN1P2RX7
SCHEMBL3985051 0.85 PKM (0.35) PTGER4FSCN1P2RX7
SCHEMBL3988282 0.84 KCNK3 (0.33) PTGER4FSCN1P2RX7
SCHEMBL3985744 0.84 P2RX7 (0.35) PTGER4FSCN1GRM2P2RX7
SCHEMBL3985871 0.84 P2RX7 (0.36) PTGER4FSCN1GRM2P2RX7
SCHEMBL3987232 0.83 PTGER4 (0.35) PTGER4FSCN1P2RX7PPARG
SCHEMBL3991571 0.83 AVPR1B (0.36) PTGER4PDE5AFSCN1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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 (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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP DCTPP1 752/4885PTGER4 2608/4885PDE5A 422/4885

“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.