SCHEMBL16615496

SCHEMBL16615496

CC1(C)CCn2cc(C(=O)NCc3ccc(F)cc3)c(=O)c(O)c2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC22A2 O15244 4/20 0.42
STAT3 P40763 1/20 0.41
CYP3A4 P08684 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL23654610 0.89 LMNA (0.44) MAPTLIPGSLC22A2CYP3A4TMEM97
SCHEMBL16599545 0.87 PDE10A (0.43) MAPTLIPGSMN1; SMN2SLC22A2GAA
SCHEMBL17997113 0.86 SLC22A2 (0.57) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL2187504 0.79
SCHEMBL19003159 0.79 SLC22A2 (0.40) MAPTLIPGSMN1; SMN2SLC22A2CYP3A4
SCHEMBL16615677 0.79 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615506 0.79 SLC22A2 (0.47) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615653 0.79 LIPG (0.41) MAPTLIPG
SCHEMBL3520763 0.78 TP53 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615425 0.78 SLC22A2 (0.56) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-12 US disclosed
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-9861620-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-09 US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
WO-2015048363-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 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 (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-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 MAPT 3742/4885LIPG 4466/4885SMN1; SMN2 4719/4885
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 MAPT 3742/4885LIPG 4466/4885SMN1; SMN2 4719/4885
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors NQO2, CYP3A5, QTRT1 MAPT 3742/4885LIPG 4466/4885SMN1; SMN2 4719/4885

“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.