SCHEMBL4631987

SCHEMBL4631987

CC(C)CC1CN(Cc2ccccc2)CCN1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
SIGMAR1 Q99720 2/20 0.49
TACR1 P25103 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR5 P51681 4/20 0.43
ACHE P22303 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MC4R P32245 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 1/20 0.40
BACE1 P56817 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
SCHEMBL1005584 1.00 LTA4H (0.56) LTA4HSIGMAR1TACR1KDM4EMEN1
SCHEMBL3492627 1.00 LTA4H (0.56) LTA4HSIGMAR1TACR1KDM4EMEN1
SCHEMBL5463927 0.89 LTA4H (0.54) LTA4HSIGMAR1TACR1KDM4EMEN1
SCHEMBL5245519 0.89 LTA4H (0.54) LTA4HSIGMAR1TACR1KDM4EMEN1
SCHEMBL27764770 0.89 LTA4H (0.54) LTA4HSIGMAR1TACR1KDM4EMEN1
SCHEMBL21274271 0.86 LTA4H (0.56) LTA4HSIGMAR1TACR1ACHECYP1A2
SCHEMBL4681405 0.84 LTA4H (0.60) LTA4HSIGMAR1KDM4EMEN1KMT2A
SCHEMBL1005557 0.84 LTA4H (0.60) LTA4HSIGMAR1KDM4EMEN1KMT2A
SCHEMBL334798 0.84 LTA4H (0.60) LTA4HSIGMAR1KDM4EMEN1KMT2A
SCHEMBL31535374 0.82 LTA4H (0.62) LTA4HSIGMAR1TACR1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727378-B1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME LLC (US) 2023-02-22 EP disclosed
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta MERCK SHARP & DOHME CORP. (US) 2021-11-23 US disclosed
US-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA MERCK SHARP & DOHME CORP. (US) 2020-12-17 US disclosed
EP-3727378-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA Merck Sharp&Dohme Corp. (US) 2020-10-28 EP disclosed
CN-102060809-B Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2015-05-20 CN disclosed
CN-101638423-B Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES INST CO LTD OF CHANGZHOU HIGH TECH IND DEV ZONE 2012-09-05 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
CN-102060809-A Rhein derivatives and preparation and application thereof CHANGZHOU HI TECH DISTR MULTIPLE DIMENSION INDUSTRY TECHNOLOGY INST CO LTD 2011-05-18 CN disclosed
CN-101638423-A Phloridzin derivative as well as preparation method and application thereof 3D IND TECHNOLOGY RES I CO LTD 2010-02-03 CN disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1924568-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2008-05-28 EP disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 US disclosed
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 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 (4 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-20200390760-A1 PURINE INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PI4KA LTA4H 534/4885SIGMAR1 1616/4885TACR1 2509/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG LTA4H 2682/4885SIGMAR1 134/4885TACR1 619/4885
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 LTA4H 4282/4885SIGMAR1 562/4885TACR1 3340/4885
US-11179389-B2 Purine inhibitors of human phosphatidylinositol 3-kinase delta PIK3CD, PIK3CA, PI4KA LTA4H 534/4885SIGMAR1 1616/4885TACR1 2509/4885

“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.