SCHEMBL3528935

SCHEMBL3528935

CN(C)CCN1CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC22A2 O15244 9/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP3A4 P08684 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL2184805 0.89 SLC22A2 (0.44) MAPTLIPGSMN1; SMN2SLC22A2CYP3A4
SCHEMBL22482699 0.88 MAPT (0.44) MAPTLIPGSMN1; SMN2SLC22A2CYP3A4
SCHEMBL82568 0.88 LIPG (0.46) MAPTLIPGSMN1; SMN2SLC22A2
SCHEMBL2187383 0.87 MAPT (0.43) MAPTLIPGSMN1; SMN2SLC22A2CYP3A4
SCHEMBL3528255 0.87 SLC22A2 (0.42) MAPTLIPGSLC22A2CYP3A4TMEM97
SCHEMBL3520763 0.86 TP53 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2187748 0.86 LIPG (0.45) MAPTLIPGSMN1; SMN2SLC22A2CYP3A4
SCHEMBL2187466 0.86 LIPG (0.44) MAPTLIPGSMN1; SMN2SLC22A2CYP3A4
SCHEMBL3523953 0.86 SLC22A2 (0.42) MAPTLIPGSLC22A2RXFP1CYP3A4
SCHEMBL14129795 0.85 SLC22A2 (0.43) SLC22A2CYP3A4TMEM97ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1950212-B1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE SHIONOGI & CO (JP) 2016-02-24 EP disclosed
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY YOSHIDA HIROSHI (JP) 2012-08-16 US disclosed
US-8188271-B2 Polycyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-05-29 US disclosed
US-7858788-B2 Bicyclic carbamoylpyridone derivative having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2010-12-28 US disclosed
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
EP-1950212-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING INHIBITORY ACTIVITY ON HIV INTEGRASE Shionogi Co., Ltd. (JP) 2008-07-30 EP disclosed
US-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2008-07-03 US disclosed
EP-1852434-A1 BICYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITING ACTIVITY Shionogi Co., Ltd. (JP) 2007-11-07 EP 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-20080161271-A1 Bicyclic Carbamoylpyridone Derivative Having Hiv Integrase Inhibitory Activity NR4A1, HAT1, NR4A2 MAPT 4715/4885LIPG 3913/4885SMN1; SMN2 3082/4885
US-20120208998-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY CDKN1A, CDK2, CDK2AP1 MAPT 2144/4885LIPG 3032/4885SMN1; SMN2 3622/4885
US-20090143356-A1 Polycylclic Carbamoylpyridone Derivative Having HIV Integrase Inhibitory Acitvity CDK20, CYP4A22, CDK10 MAPT 4110/4885LIPG 4664/4885SMN1; SMN2 2886/4885

“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.